4- (Cyclohexylsulfanyl) -2-methylaniline

CAT: 0926-DXB22523-01Size: 250 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0926-DXB22523-01Size:250 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

1178225-23-4

MDL Number

MFCD12801138

Smiles

CC1=C (C=CC (=C1) SC2CCCCC2) N

Molecular Formula

C13H19NS

Molecular Weight

221.36 g/mol

Controlled

Chemical Information

4-(Cyclohexylsulfanyl)-2-methylaniline

CAS Number	1178225-23-4
PubChem CID	47002735
IUPAC Name	4-cyclohexylsulfanyl-2-methylaniline
Molecular Formula	C13H19NS
Molecular Weight	221.36
XLogP	3.9
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	189

SMILES

CC1=C(C=CC(=C1)SC2CCCCC2)N

InChI

InChI=1S/C13H19NS/c1-10-9-12(7-8-13(10)14)15-11-5-3-2-4-6-11/h7-9,11H,2-6,14H2,1H3

InChIKey

OOGYGQCVDMVGCA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1178225-23-4

CID: 47002735

Formula: C13H19NS

MW: 221.36

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	221.36
XLogP3	3.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	221.12382078
Monoisotopic Mass	221.12382078
Topological Polar Surface Area	51.3 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	189
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
DCA60638-01	4- (Cyclohexylsulfanyl) benzaldehyde
PDC74003-01	4- (Cyclohexylsulfanyl) pentan-2-one
FI64349-01	4-Iodo-2-methylaniline
FB170004-01	4- (benzyloxy) -2-methylaniline
PBA53868-01	2-Methoxy-4-methylaniline
AGA74889-01	4-Butoxy-2-methylaniline
CKA56200-01	4-Methanesulfonyl-2-Methylaniline
FC64323-01	4-Chloro-2-methylaniline
FC05832-01	2-Chloro-4-methylaniline
PEA76605-01	4-Ethoxy-2-methylaniline

Catalog	Name
sc-298153A	2- (Cyclohexylsulfanyl) -5-nitrobenzenecarbaldehyde
JH124745	14-O-{[ (1R,2R,4R) -4-amino-2-hydroxy-cyclohexylsulfanyl]-acetyl}-mutilin acetate
429452-01	4- (Cyclohexylsulfanyl) phenylboronic acid
sc-299305	4- (Cyclohexylsulfanyl) -3-nitrobenzenecarbaldehyde
CS-AZ-00016	2-Ethyl-6-methylaniline
903010	2‐CHLORO‐5‐METHYLANILINE
TRC-M336795-1G	5-Methoxy-2-methylaniline
HY-I0882-01	2-Isopropoxy-5-methylaniline
432295-01	4-Fluoro-2-methylaniline
418561-01	2-Methoxy-3-methylaniline