4- (Phenylthio) Aniline

CAT: 1299-RG-A260162-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-A260162-01Size:10 mg

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CAS Number

1135-14-4

Synonyms

4- (phenylthio) aniline

Molecular Formula

C12H11NS

Molecular Weight

201.29

Product Name Synonym

4- (phenylthio) aniline

Chemical Information

4-(Phenylthio)aniline

CAS Number	1135-14-4
PubChem CID	96081
IUPAC Name	4-phenylsulfanylaniline
Molecular Formula	C12H11NS
Molecular Weight	201.29
XLogP	2.9
Topological Polar Surface Area	51.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	158

SMILES

C1=CC=C(C=C1)SC2=CC=C(C=C2)N

InChI

InChI=1S/C12H11NS/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H,13H2

InChIKey

TZQVSGOOKNNDFU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1135-14-4

CID: 96081

Formula: C12H11NS

MW: 201.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	201.29
XLogP3	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	201.06122053
Monoisotopic Mass	201.06122053
Topological Polar Surface Area	51.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	158
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

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RG-E141001-01	2- (methylthio) aniline

Catalog	Name
OR4141-01	2- (Phenylthio) aniline
OR6679-01	4- (Phenylthio) aniline
OR1004289-01	4-[ (Phenylthio) methyl]aniline
OR13529	3-Nitro-5- (phenylthio) aniline
OR1010570-01	2-Nitro-5- (Phenylthio) Aniline
sc-253266	(Phenylthio) acetonitrile
FAA04253-01	(Phenylthio) propanone
286542-01	(Phenylthio) trimethylsilane
468311-01	Tris (phenylthio) methane
286897-01	(Phenylthio) methyltriphenylphosphonium chloride