Thiocarbanilide

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  • 102-08-9
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  • MP 153-154deg
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Catalog Number
ACM102089-1
Product Name
Thiocarbanilide
Structure
Structure
CAS
102-08-9
Category
Heterocyclic Organic Compound
Synonyms
1,3-Diphenyl-2-thiourea
IUPAC Name
1,3-Diphenylthiourea
Molecular Weight
228.31
Molecular Formula
C13H12N2S
Canonical SMILES
C1=CC=C(C=C1)NC(=S)NC2=CC=CC=C2
InChI
InChI=1S/C13H12N2S/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16)
InChI Key
FCSHMCFRCYZTRQ-UHFFFAOYSA-N
Boiling Point
50 °C
Melting Point
152-155 °C
Density
1.32 g/cm3
Complexity
196
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
228.07211956
Formal Charge
0
Heavy Atom Count
16
Hydrogen Bond Acceptor Count
1
Hydrogen Bond Donor Count
2
Isotope Atom Count
0
Monoisotopic Mass
228.07211956
Physical State
White powder
Rotatable Bond Count
2
Topological Polar Surface Area
56.2 Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
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