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88595-23-7 | 1H-Pyrrole-1-sulfenyl chloride, 2,5-dihydro-3,4-dimethyl-2,5-dioxo-
CAS No: 88595-23-7 Catalog No: AG004B37 MDL No:
Product Description
Catalog Number:
AG004B37
Chemical Name:
1H-Pyrrole-1-sulfenyl chloride, 2,5-dihydro-3,4-dimethyl-2,5-dioxo-
CAS Number:
88595-23-7
Molecular Formula:
C6H6ClNO2S
Molecular Weight:
191.6353
IUPAC Name:
(3,4-dimethyl-2,5-dioxopyrrol-1-yl) thiohypochlorite
InChI:
InChI=1S/C6H6ClNO2S/c1-3-4(2)6(10)8(11-7)5(3)9/h1-2H3
InChI Key:
TZEQHOIUQCHNPQ-UHFFFAOYSA-N
SMILES:
ClSN1C(=O)C(=C(C1=O)C)C
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.981g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.629g/mol
Monoisotopic Mass:
190.981g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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