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137400-66-9 | 2-PYRIMIDINESULFENOTHIOIC ACID
CAS No: 137400-66-9 Catalog No: AG00138R MDL No:
Product Description
Catalog Number:
AG00138R
Chemical Name:
2-PYRIMIDINESULFENOTHIOIC ACID
CAS Number:
137400-66-9
Molecular Formula:
C4H4N2S2
Molecular Weight:
144.2180
IUPAC Name:
2-(disulfanyl)pyrimidine
InChI:
InChI=1S/C4H4N2S2/c7-8-4-5-2-1-3-6-4/h1-3,7H
InChI Key:
NZWDAWCJNDUNBN-UHFFFAOYSA-N
SMILES:
SSc1ncccn1
Properties
Complexity:
63.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.982g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
144.21g/mol
Monoisotopic Mass:
143.982g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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