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Home > Imidazoles > 83256-01-3
83256-01-3 | 1H-Imidazole-4-carbothioamide, 5-(methylthio)-
CAS No: 83256-01-3 Catalog No: AG0057HP MDL No:MFCD20666894
Product Description
Catalog Number:
AG0057HP
Chemical Name:
1H-Imidazole-4-carbothioamide, 5-(methylthio)-
CAS Number:
83256-01-3
Molecular Formula:
C5H7N3S2
Molecular Weight:
173.2592
MDL Number:
MFCD20666894
IUPAC Name:
4-methylsulfanyl-1H-imidazole-5-carbothioamide
InChI:
InChI=1S/C5H7N3S2/c1-10-5-3(4(6)9)7-2-8-5/h2H,1H3,(H2,6,9)(H,7,8)
InChI Key:
LEDMGHFJOFGXGH-UHFFFAOYSA-N
SMILES:
CSc1[nH]cnc1C(=S)N
NSC Number:
684041
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.008g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
173.252g/mol
Monoisotopic Mass:
173.008g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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