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140914-51-8 | 3-Thiophenecarbonyl chloride, tetrahydro-5-oxo-
CAS No: 140914-51-8 Catalog No: AG001CZV MDL No:
Product Description
Catalog Number:
AG001CZV
Chemical Name:
3-Thiophenecarbonyl chloride, tetrahydro-5-oxo-
CAS Number:
140914-51-8
Molecular Formula:
C5H5ClO2S
Molecular Weight:
164.6100
IUPAC Name:
5-oxothiolane-3-carbonyl chloride
InChI:
InChI=1S/C5H5ClO2S/c6-5(8)3-1-4(7)9-2-3/h3H,1-2H2
InChI Key:
WOLIDTHGPWAKBS-UHFFFAOYSA-N
SMILES:
O=C1SCC(C1)C(=O)Cl
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.97g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.603g/mol
Monoisotopic Mass:
163.97g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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