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245321-47-5 | 2-Pyrimidinecarbothioamide, 4-amino-
CAS No: 245321-47-5 Catalog No: AG002OG4 MDL No:
Product Description
Catalog Number:
AG002OG4
Chemical Name:
2-Pyrimidinecarbothioamide, 4-amino-
CAS Number:
245321-47-5
Molecular Formula:
C5H6N4S
Molecular Weight:
154.1929
IUPAC Name:
4-aminopyrimidine-2-carbothioamide
InChI:
InChI=1S/C5H6N4S/c6-3-1-2-8-5(9-3)4(7)10/h1-2H,(H2,7,10)(H2,6,8,9)
InChI Key:
WORRABKVPWOBEK-UHFFFAOYSA-N
SMILES:
Nc1ccnc(n1)C(=S)N
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.031g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
154.191g/mol
Monoisotopic Mass:
154.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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