N-Phenylthiobenzamide

CAT: 0024-sc-488138Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-488138Size:5 g

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CAS Number

636-04-4

Chemical Information

Thiobenzanilide

CAS Number	636-04-4
PubChem CID	668263
IUPAC Name	N-phenylbenzenecarbothioamide
Molecular Formula	C13H11NS
Molecular Weight	213.30
XLogP	3
Topological Polar Surface Area	44.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	15
Formal Charge	0
Complexity	203

SMILES

C1=CC=C(C=C1)C(=S)NC2=CC=CC=C2

InChI

InChI=1S/C13H11NS/c15-13(11-7-3-1-4-8-11)14-12-9-5-2-6-10-12/h1-10H,(H,14,15)

InChIKey

BOQKCADLPNLYCZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 636-04-4

CID: 668263

Formula: C13H11NS

MW: 213.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	213.30
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	213.06122053
Monoisotopic Mass	213.06122053
Topological Polar Surface Area	44.1 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	203
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-222018B	N, N', N'', N''', N'''', N'''''-Hexaacetylchitohexaose
sc-222018	N, N', N'', N''', N'''', N'''''-Hexaacetylchitohexaose
sc-222018A	N, N', N'', N''', N'''', N'''''-Hexaacetylchitohexaose
sc-255378	N, N, N', N'', N''-Pentamethyldiethylenetriamine
sc-255378A	N, N, N', N'', N''-Pentamethyldiethylenetriamine
sc-476472	N, N, N', N'-Tetramethylmalonamide
sc-475571	N, N, N', N'-Tetrapentylmalonamide
sc-475567	N, N, N', N'-Tetraethylmalonamide
sc-253153	N, N, N', N'-Tetramethyldiaminomethane
sc-228780	N, N, N', N'-Tetraethyldiethylenetriamine

Catalog	Name
OR1014468-01	N-Phenylthiobenzamide
OH153454-01	N, N', N'', N''', N'''', N''''', N''''''-Heptaacetylchitoheptaose
FH171463-01	N, N, N', N', N'', N''-Hexamethoxymethylmelamine
OR9122-01	N, N, N', N', N'', N''-Hexamethylmethanetriamine
297193-01	N, N', N'', N''', N'''', N'''''-Hexaacetylchitohexaose
TRC-H290750-10MG	N,N’,N’’,N’’’,N’’’’,N’’’’’-Hexaacetylchitohexaose
OR22662	N, N, N, N, N, N-hexaethylphosphinetricarboxamide
AR-O01213-01	N, N’, N’’, N’’’, N’’’’, N’’’’’-Hexaacetylchitohexaose
TRC-P225000-100MG	N,N’,N’’,N’’’,N’’’’-Pentaacetylchitopentaose
OR55651-01	N, N, N', N'', N''-Pentamethyldiethylenetriamine