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119979-37-2 | 4-Pyrimidinemethanethiol
CAS No: 119979-37-2 Catalog No: AG000PZ6 MDL No:
Product Description
Catalog Number:
AG000PZ6
Chemical Name:
4-Pyrimidinemethanethiol
CAS Number:
119979-37-2
Molecular Formula:
C5H6N2S
Molecular Weight:
126.1795
IUPAC Name:
pyrimidin-4-ylmethanethiol
InChI:
InChI=1S/C5H6N2S/c8-3-5-1-2-6-4-7-5/h1-2,4,8H,3H2
InChI Key:
YZEMUDOZDCYPLU-UHFFFAOYSA-N
SMILES:
SCc1ccncn1
Properties
Complexity:
67.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.025g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
126.177g/mol
Monoisotopic Mass:
126.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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