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71058-35-0 | 4-(2,6-Dimethylphenyl)-3-thiosemicarbazide, 97%
CAS No: 71058-35-0 Catalog No: AG003JYS MDL No:MFCD00041281
Product Description
Catalog Number:
AG003JYS
Chemical Name:
4-(2,6-Dimethylphenyl)-3-thiosemicarbazide, 97%
CAS Number:
71058-35-0
Molecular Formula:
C9H13N3S
Molecular Weight:
195.2846
MDL Number:
MFCD00041281
IUPAC Name:
1-amino-3-(2,6-dimethylphenyl)thiourea
InChI:
InChI=1S/C9H13N3S/c1-6-4-3-5-7(2)8(6)11-9(13)12-10/h3-5H,10H2,1-2H3,(H2,11,12,13)
InChI Key:
YEOAXWBYZFHOIZ-UHFFFAOYSA-N
SMILES:
NNC(=S)Nc1c(C)cccc1C
Properties
Complexity:
174
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:
3
Isotope Atom Count:
0
Molecular Weight:
195.284g/mol
Monoisotopic Mass:
195.083g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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