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122813-72-3 | Hydrazinecarbothioamide, N-(4-bromo-2,6-dimethylphenyl)-
CAS No: 122813-72-3 Catalog No: AG000JJ2 MDL No:MFCD00060579
Product Description
Catalog Number:
AG000JJ2
Chemical Name:
Hydrazinecarbothioamide, N-(4-bromo-2,6-dimethylphenyl)-
CAS Number:
122813-72-3
Molecular Formula:
C9H12BrN3S
Molecular Weight:
274.1807
MDL Number:
MFCD00060579
IUPAC Name:
1-amino-3-(4-bromo-2,6-dimethylphenyl)thiourea
InChI:
InChI=1S/C9H12BrN3S/c1-5-3-7(10)4-6(2)8(5)12-9(14)13-11/h3-4H,11H2,1-2H3,(H2,12,13,14)
InChI Key:
DILNFZLORSLUJR-UHFFFAOYSA-N
SMILES:
NNC(=S)Nc1c(C)cc(cc1C)Br
NSC Number:
372365
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.994g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
274.18g/mol
Monoisotopic Mass:
272.994g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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