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76457-80-2 | Hydrazinecarbothioamide, N-[3-(methylthio)phenyl]-
CAS No: 76457-80-2 Catalog No: AG005BSE MDL No:MFCD00060575
Product Description
Catalog Number:
AG005BSE
Chemical Name:
Hydrazinecarbothioamide, N-[3-(methylthio)phenyl]-
CAS Number:
76457-80-2
Molecular Formula:
C8H11N3S2
Molecular Weight:
213.3230
MDL Number:
MFCD00060575
IUPAC Name:
1-amino-3-(3-methylsulfanylphenyl)thiourea
InChI:
InChI=1S/C8H11N3S2/c1-13-7-4-2-3-6(5-7)10-8(12)11-9/h2-5H,9H2,1H3,(H2,10,11,12)
InChI Key:
GUGDJPRCHPSEEF-UHFFFAOYSA-N
SMILES:
NNC(=S)Nc1cccc(c1)SC
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.039g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
213.317g/mol
Monoisotopic Mass:
213.039g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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