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13207-50-6 | Hydrazinecarbothioamide, N-methyl-2-phenyl-
CAS No: 13207-50-6 Catalog No: AG00105Q MDL No:
Product Description
Catalog Number:
AG00105Q
Chemical Name:
Hydrazinecarbothioamide, N-methyl-2-phenyl-
CAS Number:
13207-50-6
Molecular Formula:
C8H11N3S
Molecular Weight:
181.2580
IUPAC Name:
1-anilino-3-methylthiourea
InChI:
InChI=1S/C8H11N3S/c1-9-8(12)11-10-7-5-3-2-4-6-7/h2-6,10H,1H3,(H2,9,11,12)
InChI Key:
TVQONGCRGGWBOT-UHFFFAOYSA-N
SMILES:
CNC(=S)NNc1ccccc1
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.067g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
181.257g/mol
Monoisotopic Mass:
181.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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