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Home> Encyclopedia > Hot Product Listed 5   > 5-Oxathiolanemethanol,2-methyl-2-phenyl-, 5-carbamate
10102-17-7 structure

5-Oxathiolanemethanol,2-methyl-2-phenyl-, 5-carbamate

Iupac Name:disodium;dioxido-oxo-sulfanylidene-$l^{6}-sulfane;pentahydrate
CAS No.:10102-17-7
Molecular Weight:248.172
Molecular Formula:C9H9NO2 (isomer)
Names and Identifiers
Synonyms

(2-methyl-2-phenyl-1,3-oxathiolan-5-yl)methyl aminooate (2-methyl-2-phenyl-1,3-oxathiolan-5-yl)methyl carbamate 1,3-oxathiolane-5-methanol, 2-methyl-2-phenyl-, carbamate 1,3-Oxathiolane-5-methanol,2-methyl-2-phenyl-, carbamate (8CI,9CI) 2-methyl-2-phenyl-1,3-oxathiolane-5-methanol carbamate AC1L4TAZ AC1Q669V AKOS024351858 brn 1290309 HE125193 HE125194 LS-99706 MCULE-5655669736 ST50976738

Inchi
InChI=1S/2Na.H2O3S2.5H2O/c;;1-5(2,3)4;;;;;/h;;(H2,1,2,3,4);5*1H2/q2*+1;;;;;;/p-2
InChkey
PODWXQQNRWNDGD-UHFFFAOYSA-L
Canonical Smiles
O.O.O.O.O.[O-]S(=O)(=S)[O-].[Na+].[Na+]
Properties
Melting Point
48.5℃
Boiling Point
538.6°Cat760mmHg
HS Code
28323000
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S24/25
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:248.172g/mol
  • Molecular Formula:C9H9NO2
  • Compound Is Canonicalized:True
  • Exact Mass:247.961
  • Monoisotopic Mass:247.961
  • Complexity:82.6
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:5
  • Hydrogen Bond Acceptor Count:9
  • Topological Polar Surface Area:109A^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:8
  • CACTVS Substructure Key Fingerprint: AAADccAAPDBgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAAAAAAAA AAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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Recommended Suppliers
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  • Fax:86-571-88938652
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  • Fax:+86-0592-5567629
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-571-86960370
  • Fax:86-571-86940780
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  • Tel:86-27-87465837
  • Fax:86-27-87772287
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