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132429-86-8 | Hydrazinecarbothioamide, N-(chlorophenyl)- (9CI)
CAS No: 132429-86-8 Catalog No: AG0010OD MDL No:MFCD00041271
Product Description
Catalog Number:
AG0010OD
Chemical Name:
Hydrazinecarbothioamide, N-(chlorophenyl)- (9CI)
CAS Number:
132429-86-8
Molecular Formula:
C7H8ClN3S
Molecular Weight:
201.6765
MDL Number:
MFCD00041271
IUPAC Name:
1-amino-3-(2-chlorophenyl)thiourea
InChI:
InChI=1S/C7H8ClN3S/c8-5-3-1-2-4-6(5)10-7(12)11-9/h1-4H,9H2,(H2,10,11,12)
InChI Key:
OLLXBDOYXPALCA-UHFFFAOYSA-N
SMILES:
NNC(=S)Nc1ccccc1Cl
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.013g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
201.672g/mol
Monoisotopic Mass:
201.013g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| 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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