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114324-56-0 | Hydrazinecarbothioamide, N-methyl-N-(phenylmethyl)-
CAS No: 114324-56-0 Catalog No: AG000B3W MDL No:
Product Description
Catalog Number:
AG000B3W
Chemical Name:
Hydrazinecarbothioamide, N-methyl-N-(phenylmethyl)-
CAS Number:
114324-56-0
Molecular Formula:
C9H13N3S
Molecular Weight:
195.2846
IUPAC Name:
3-amino-1-benzyl-1-methylthiourea
InChI:
InChI=1S/C9H13N3S/c1-12(9(13)11-10)7-8-5-3-2-4-6-8/h2-6H,7,10H2,1H3,(H,11,13)
InChI Key:
CCCSKFUQQXLJKQ-UHFFFAOYSA-N
SMILES:
NNC(=S)N(Cc1ccccc1)C
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.083g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
195.284g/mol
Monoisotopic Mass:
195.083g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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