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206559-55-9 | Hydrazinecarbothioamide, N-[(3,4-dichlorophenyl)methyl]-
CAS No: 206559-55-9 Catalog No: AG002IK3 MDL No:MFCD00070641
Product Description
Catalog Number:
AG002IK3
Chemical Name:
Hydrazinecarbothioamide, N-[(3,4-dichlorophenyl)methyl]-
CAS Number:
206559-55-9
Molecular Formula:
C8H9Cl2N3S
Molecular Weight:
250.1482
MDL Number:
MFCD00070641
IUPAC Name:
1-amino-3-[(3,4-dichlorophenyl)methyl]thiourea
InChI:
InChI=1S/C8H9Cl2N3S/c9-6-2-1-5(3-7(6)10)4-12-8(14)13-11/h1-3H,4,11H2,(H2,12,13,14)
InChI Key:
MVZAMZJSSMCETJ-UHFFFAOYSA-N
SMILES:
NNC(=S)NCc1ccc(c(c1)Cl)Cl
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.989g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
250.141g/mol
Monoisotopic Mass:
248.989g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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