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88982-85-8 | 4-Thiazolecarbonylchloride, 2,3-dihydro-2-thioxo-
CAS No: 88982-85-8 Catalog No: AG0045K2 MDL No:MFCD28661386
Product Description
Catalog Number:
AG0045K2
Chemical Name:
4-Thiazolecarbonylchloride, 2,3-dihydro-2-thioxo-
CAS Number:
88982-85-8
Molecular Formula:
C4H2ClNOS2
Molecular Weight:
179.6478
MDL Number:
MFCD28661386
IUPAC Name:
2-sulfanylidene-3H-1,3-thiazole-4-carbonyl chloride
InChI:
InChI=1S/C4H2ClNOS2/c5-3(7)2-1-9-4(8)6-2/h1H,(H,6,8)
InChI Key:
XQJMPVVYGPPNPU-UHFFFAOYSA-N
SMILES:
ClC(=O)c1csc(=S)[nH]1
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.927g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.636g/mol
Monoisotopic Mass:
178.927g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
86.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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