3-Nitrothioanisole

CAT: 0024-sc-313464ASize: 100 gDry Ice: NoHazardous: No

1 / 1

CAT#:0024-sc-313464ASize:100 g

Selected

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

Quick Request Actions

CAS Number

2524-76-7

Chemical Information

1-(Methylthio)-3-nitrobenzene

CAS Number	2524-76-7
PubChem CID	75656
IUPAC Name	1-methylsulfanyl-3-nitrobenzene
Molecular Formula	C7H7NO2S
Molecular Weight	169.20
XLogP	2.5
Topological Polar Surface Area	71.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	146

SMILES

CSC1=CC=CC(=C1)[N+](=O)[O-]

InChI

InChI=1S/C7H7NO2S/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3

InChIKey

GBGVXOUUXAIELM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2524-76-7

CID: 75656

Formula: C7H7NO2S

MW: 169.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	169.20
XLogP3	2.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	169.01974964
Monoisotopic Mass	169.01974964
Topological Polar Surface Area	71.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	146
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-232930	4-Nitrothioanisole
sc-260433A	3- (3,3,3-Trifluoropropyl) heptamethyltrisiloxane
sc-260433	3- (3,3,3-Trifluoropropyl) heptamethyltrisiloxane
sc-261129	3,3,3-Trifluoropropionitrile
sc-347307A	3,3,3-trifluoropropanamide
sc-261128A	3,3,3-Trifluoropropionaldehyde
sc-474290	3,3,3-Trimethoxypropanenitrile
sc-261128	3,3,3-Trifluoropropionaldehyde
sc-261132	3,3,3-Trifluoropropylamine
sc-347308A	3,3,3-trifluoropropanehydrazide

Catalog	Name
OR7777	2-Nitrothioanisole
OR0780-01	4-Nitrothioanisole
OR1099871-01	2-Chloro-4-nitrothioanisole
OR23642-01	5-Chloro-2-nitrothioanisole
PC6825	3,3,3-Trifluoropropyl 3,3,3-trifluoropropanoate
QMC01729-01	3- (3,3,3-Trifluoropropoxy) pyridine
JFC42829-01	3- (3,3,3-Trifluoropropyl) aniline
PDC53711-01	3- (3,3,3-Trifluoropropoxy) piperidine
PC7820FJ-01	3- (3,3,3-Trifluoropropyl) heptamethyltrisiloxane
NU-456L	3',3',3'-cAAG