Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Rubber Auxiliary Agents  /  Fungicide  /  Others  /  Pharmaceutical Intermediates  /  Chemical Auxiliary Agent
1H-Inden-1-one, 2-(3-ethyl-2(3H)-benzothiazolylidene)-2,3-dihydro- structure
1H-Inden-1-one, 2-(3-ethyl-2(3H)-benzothiazolylidene)-2,3-dihydro- structure

1H-Inden-1-one, 2-(3-ethyl-2(3H)-benzothiazolylidene)-2,3-dihydro-

Iupac Name:dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate
CAS No.:137-26-8
Molecular Weight:240.43
1. Names and Identifiers
1.1 Name
1H-Inden-1-one, 2-(3-ethyl-2(3H)-benzothiazolylidene)-2,3-dihydro-
1.2 Synonyms

1H-Inden-1-one, 2-(3-ethyl-2(3H)-benzothiazolylidene)-2,3-dihydro- 2-(3-ethyl-1,3-benzothiazol-2(3h)-ylidene)-2,3-dihydro-1h-inden-1-one 2-(3-ethyl-1,3-benzothiazol-2-ylidene)-3h-inden-1-one 293329-20-1 CTK0J1378 DTXSID40707965

1.3 CAS No.
137-26-8
1.4 CID
5455
1.5 Molecular Formula
C24H30N2O3 (isomer)
1.6 Inchi
InChI=1S/C6H12N2S4/c1-7(2)5(9)11-12-6(10)8(3)4/h1-4H3
1.7 InChkey
KUAZQDVKQLNFPE-UHFFFAOYSA-N
1.8 Canonical Smiles
CN(C)C(=S)SSC(=S)N(C)C
1.9 Isomers Smiles
CN(C)C(=S)SSC(=S)N(C)C
2. 3D Conformer
3. Properties
3.1 Melting Point
156-158 °C(lit.)
3.2 Vapour
0.000726mmHg at 25°C
3.3 Refractive Index
1.5500 (estimate)
4. Safety and Handling
4.1 Risk Statements
20/22-36/38-43-48/22-50/53
4.2 Safety Statements
26-36/37-60-61
4.3 HazardClass
9
4.3 PackingGroup
III
4.4 Transport
UN 2771/2811
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Skin irritation, Category 2

Eye irritation, Category 2

Skin sensitization, Category 1

Acute toxicity - Inhalation, Category 4

Specific target organ toxicity \u2013 repeated exposure, Category 2

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H315 Causes skin irritation

H319 Causes serious eye irritation

H317 May cause an allergic skin reaction

H332 Harmful if inhaled

H410 Very toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P272 Contaminated work clothing should not be allowed out of the workplace.

P271 Use only outdoors or in a well-ventilated area.

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

P273 Avoid release to the environment.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

P302+P352 IF ON SKIN: Wash with plenty of water/...

P321 Specific treatment (see ... on this label).

P332+P313 If skin irritation occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

P333+P313 If skin irritation or rash occurs: Get medical advice/attention.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

P314 Get medical advice/attention if you feel unwell.

P391 Collect spillage.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

6. Computational chemical data
  • Molecular Weight:240.43g/mol
  • Molecular Formula:C24H30N2O3
  • Compound Is Canonicalized:True
  • Exact Mass:239.988
  • Monoisotopic Mass:239.988
  • Complexity:158
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:121A^2
  • Heavy Atom Count:12
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBjAABwAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAFAQAAAAAAAAAAAQCAAMAAAAE AAAAAAAAAAAAAAgAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
8. Recommended Suppliers
Global281SuppliersView all >>
  • Products:Cosmetic Raw Materials,solvents,etc.
  • Tel:86-311-66562153
  • Email:breeduan@crovellbio.com
Factory price 97%min Accelerator TMTD Tetramethylthiuram Disulfide CAS 137-26-8
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 10 USD/Kilogram
  • Time: 2021/05/27
Inquire
  • Products:API,Pharmaceutical intermediates, food additives, plant extracts,cosmetics,fine chemicals,reagents
  • Tel:+86-571-88216897
  • Email:bobtang@hzclap.com
TMTD
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/Gram
  • Time: 2020/12/26
Inquire
  • Products:Sales of chemical products
  • Tel:86-135-88316301
  • Email:yali.liang@alicechem.com
Tetramethylthiuram Disulfide
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/Gram
  • Time: 2021/09/08
Inquire
  • Products:o-Phthalaldehyde, Methoxyammonium chloride
  • Tel:86-592-5360779
  • Email:sales@luyunjiachem.com
TMTD
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2021/04/25
Inquire
  • Products:Chemical products
  • Tel:86-571-88938639
  • Email:sales-gc@chinadayangchem.com
Tetramethylthiuramdisulfide
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/12/20
Inquire