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16431-47-3 | Hydrazinecarbothioamide, N-methyl-2-(1H-pyrrol-2-ylmethylene)-
CAS No: 16431-47-3 Catalog No: AG001US4 MDL No:
Product Description
Catalog Number:
AG001US4
Chemical Name:
Hydrazinecarbothioamide, N-methyl-2-(1H-pyrrol-2-ylmethylene)-
CAS Number:
16431-47-3
Molecular Formula:
C7H10N4S
Molecular Weight:
182.2461
IUPAC Name:
1-methyl-3-(1H-pyrrol-2-ylmethylideneamino)thiourea
InChI:
InChI=1S/C7H10N4S/c1-8-7(12)11-10-5-6-3-2-4-9-6/h2-5,9H,1H3,(H2,8,11,12)
InChI Key:
SYYWMKZEDFZNDB-UHFFFAOYSA-N
SMILES:
CNC(=S)NN=Cc1ccc[nH]1
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.063g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
182.245g/mol
Monoisotopic Mass:
182.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.7
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