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Home> Encyclopedia > Hot Product Listed 2   > 2-Thiophenecarbonylchloride, 3-chloro-4-[(1-methylethyl)sulfonyl]-
1114649-83-0 structure

2-Thiophenecarbonylchloride, 3-chloro-4-[(1-methylethyl)sulfonyl]-

Iupac Name:[4-(3,4-dimethoxyphenyl)-1,1-dioxo-1$l^{6},4-benzothiazin-2-yl]-(4-ethoxyphenyl)methanone
CAS No.:1114649-83-0
Molecular Weight:465.52
Molecular Formula:C8H10O4 (isomer)
Names and Identifiers
Synonyms

3-chloranyl-4-propan-2-ylsulfonyl-thiophene-2-carbonyl chloride 3-chloro-4-(isopropylsulfonyl)-2-thiophenecarbonyl chloride 3-chloro-4-(isopropyl-sulfonyl)-thiophene-2-carbonyl chloride 3-chloro-4-(isopropylsulfonyl)thiophene-2-carbonyl chloride 3-chloro-4-(isopropylsulfonyl)thiophene-2-carbonylchloride 3-chloro-4-(isopropylsulphonyl)thiophene-2-carbonyl chloride 3-chloro-4-(propane-2-sulfonyl)-thiophene-2-carbonyl chloride 3-chloro-4-propan-2-ylsulfonyl-2-thiophenecarbonyl chloride A811836 AC1Q1QT9 acm175202285 c-18076 cc-14696 CJ-33140 DB-044083 DTXSID00381083 HE004332 HE099235 IECIGDCEDBXRTI-UHFFFAOYSA-N KM02851 mfcd00084960 MOLPORT-000-144-621 SCHEMBL3065143 VT20210 ZINC2159629 zx-at025662

Inchi
InChI=1S/C25H23NO6S/c1-4-32-19-12-9-17(10-13-19)25(27)24-16-26(18-11-14-21(30-2)22(15-18)31-3)20-7-5-6-8-23(20)33(24,28)29/h5-16H,4H2,1-3H3
InChkey
JJDVDJSQFGKXEO-UHFFFAOYSA-N
Canonical Smiles
CCOC1=CC=C(C=C1)C(=O)C2=CN(C3=CC=CC=C3S2(=O)=O)C4=CC(=C(C=C4)OC)OC
Properties
Boiling Point
508.9°Cat760mmHg
Flash Point
135.5°C
Computational chemical data
  • Molecular Weight:465.52g/mol
  • Molecular Formula:C8H10O4
  • Compound Is Canonicalized:True
  • Exact Mass:465.125
  • Monoisotopic Mass:465.125
  • Complexity:813
  • Rotatable Bond Count:7
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:7
  • Topological Polar Surface Area:90.5A^2
  • Heavy Atom Count:33
  • 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: AAADceB6OABAAAAAAAAAAAAAAAAAAAAAAAAwYMEAAAAAAACBUAAAHgQAAAAADAzh2AYyx4MABAqI AqRWQHDCCAAlKhAIiB0O7MgNJnLktZuGOSrmwBnq6ce43IPOIEAAAgAAQQBAgAAEAACCAAAAAAAA AA==
 
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