4- (4-methylphenyl) sulfanylaniline

CAT: 1731-FH 1G 0A18-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:1731-FH 1G 0A18-01Size:1 mg

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CAS Number

22865-52-7

MDL Number

MFCD00172082

Purity

0.95

Smiles

Cc1ccc (Sc2ccc (N) cc2) cc1

Shipping Conditions

Room temperature, no cold chain required

Chemical Information

4-[(4-Methylphenyl)sulfanyl]aniline

CAS Number	22865-52-7
PubChem CID	459376
IUPAC Name	4-(4-methylphenyl)sulfanylaniline
Molecular Formula	C13H13NS
Molecular Weight	215.32
XLogP	3.5
Topological Polar Surface Area	51.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	15
Formal Charge	0
Complexity	179

SMILES

CC1=CC=C(C=C1)SC2=CC=C(C=C2)N

InChI

InChI=1S/C13H13NS/c1-10-2-6-12(7-3-10)15-13-8-4-11(14)5-9-13/h2-9H,14H2,1H3

InChIKey

AJSXOVAGVRPACZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 22865-52-7

CID: 459376

Formula: C13H13NS

MW: 215.32

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	215.32
XLogP3	3.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	215.07687059
Monoisotopic Mass	215.07687059
Topological Polar Surface Area	51.3 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	179
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
FH SU 0024-01	N-methyl-4- (4-methylphenyl) sulfonylaniline
FH HL 006b-01	N-methyl-2- (4-methylphenyl) sulfonylaniline
FH HL 0188-01	4-methyl-N- (4-methylphenyl) -N- (4-methylphenyl) sulfonylbenzenesulfonamide
FH 1L 0063-01	(4-methylphenyl) benzoate
FH HF 0188-01	(4-methylphenyl) -diphenylmethanol
FH HF 0055-01	[4-[ethoxy-bis (4-methylphenyl) methyl]phenyl]- (4-methylphenyl) diazene
FH HF 0033-01	4-[ethoxy-[4-[ (4-methylphenyl) carbamoyl]phenyl]-phenylmethyl]-N- (4-methylphenyl) benzamide
FH HG 00G3-01	[4- (4-methyl-N- (4-methylphenyl) anilino) phenyl]-bis (4-methylphenyl) methanol
AM UC 0521-01	(4-methoxyphenyl) - (4-methylphenyl) methanone
FH 2C 0087-01	2- (2-bromo-4-methylphenyl) -1- (4-methylphenyl) ethanone

Catalog	Name
OR1040766-01	4- (4-Methylphenyl) pyrimidine
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sc-232248	4- (4-Methylphenyl) benzaldehyde
284322-01	4-Methylphenyl 4-Chlorobutanoate
OR1083763	(4-Methylphenyl) -4-pyridinylmethanone
OR1040396-01	4-Methylphenyl 4-methylbenzenesulfonate
OR1038865-01	4- (4-Methylphenyl) sulfonylmorpholine
OR1023830	4- (4-Methylphenyl) Cyclohexanone
sc-277533	(4-Methylphenyl) acetaldehyde
sc-232890	4-Methylphenyl benzoate