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21076-23-3 | Hydrazinecarbothioamide, 1-methyl-N-(phenylmethyl)-
CAS No: 21076-23-3 Catalog No: AG002KYY MDL No:MFCD03653124
Product Description
Catalog Number:
AG002KYY
Chemical Name:
Hydrazinecarbothioamide, 1-methyl-N-(phenylmethyl)-
CAS Number:
21076-23-3
Molecular Formula:
C9H13N3S
Molecular Weight:
195.2846
MDL Number:
MFCD03653124
IUPAC Name:
1-amino-3-benzyl-1-methylthiourea
InChI:
InChI=1S/C9H13N3S/c1-12(10)9(13)11-7-8-5-3-2-4-6-8/h2-6H,7,10H2,1H3,(H,11,13)
InChI Key:
HIAIXBMYEIAKJX-UHFFFAOYSA-N
SMILES:
CN(C(=S)NCc1ccccc1)N
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:
0.8
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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