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739320-81-1 | Carbamimidothioic acid,1-methyl-1H-imidazol-2-yl ester
CAS No: 739320-81-1 Catalog No: AG005IX2 MDL No:
Product Description
Catalog Number:
AG005IX2
Chemical Name:
Carbamimidothioic acid,1-methyl-1H-imidazol-2-yl ester
CAS Number:
739320-81-1
Molecular Formula:
C5H8N4S
Molecular Weight:
156.2088
IUPAC Name:
(1-methylimidazol-2-yl) carbamimidothioate
InChI:
InChI=1S/C5H8N4S/c1-9-3-2-8-5(9)10-4(6)7/h2-3H,1H3,(H3,6,7)
InChI Key:
HYERKJUPFCROTG-UHFFFAOYSA-N
SMILES:
NC(=N)Sc1nccn1C
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.047g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
156.207g/mol
Monoisotopic Mass:
156.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
93A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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