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1246501-29-0 | 2-Chloro-5-thiazolemethanethiol
CAS No: 1246501-29-0 Catalog No: AG01FEUI MDL No:MFCD22273764
Product Description
Catalog Number:
AG01FEUI
Chemical Name:
2-Chloro-5-thiazolemethanethiol
CAS Number:
1246501-29-0
Molecular Formula:
C4H4ClNS2
Molecular Weight:
165.6643
MDL Number:
MFCD22273764
IUPAC Name:
(2-chloro-1,3-thiazol-5-yl)methanethiol
InChI:
InChI=1S/C4H4ClNS2/c5-4-6-1-3(2-7)8-4/h1,7H,2H2
InChI Key:
WKSWNTTUYFBJPT-UHFFFAOYSA-N
SMILES:
SCc1cnc(s1)Cl
Properties
Complexity:
80.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.947g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
165.653g/mol
Monoisotopic Mass:
164.947g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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