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1267057-16-8 | 2-(5-Chloro-2-thienyl)ethanethiol
CAS No: 1267057-16-8 Catalog No: AG01FECQ MDL No:
Product Description
Catalog Number:
AG01FECQ
Chemical Name:
2-(5-Chloro-2-thienyl)ethanethiol
CAS Number:
1267057-16-8
Molecular Formula:
C6H7ClS2
Molecular Weight:
178.7028
IUPAC Name:
2-(5-chlorothiophen-2-yl)ethanethiol
InChI:
InChI=1S/C6H7ClS2/c7-6-2-1-5(9-6)3-4-8/h1-2,8H,3-4H2
InChI Key:
TUUXRRGJCGYNAR-UHFFFAOYSA-N
SMILES:
SCCc1ccc(s1)Cl
Properties
Complexity:
87.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.968g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.692g/mol
Monoisotopic Mass:
177.968g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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