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2- (Methylamino) benzenethiol

CAT: 1299-RG-E141140-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-E141140-01Size:10 mg
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CAS Number
21749-63-3
Synonyms
2- (methylamino) benzenethiol
Molecular Formula
C7H9NS
Molecular Weight
139.22
Product Name Synonym
2- (methylamino) benzenethiol

Chemical Information

2-(Methylamino)benzenethiol

See also: 2-(Methylamino)benzene-1-thiol (annotation moved to).

CAS Number21749-63-3
PubChem CID452161
IUPAC Name2-(methylamino)benzenethiol
Molecular FormulaC7H9NS
Molecular Weight139.22
XLogP2.1
Topological Polar Surface Area13
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity85
SMILES
CNC1=CC=CC=C1S
InChI
InChI=1S/C7H9NS/c1-8-6-4-2-3-5-7(6)9/h2-5,8-9H,1H3
InChIKey
IZGADWSEDZVYHD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(Methylamino)benzenethiol
CAS: 21749-63-3
CID: 452161
Formula: C7H9NS
MW: 139.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight139.22
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass139.04557046
Monoisotopic Mass139.04557046
Topological Polar Surface Area13 Ų
Heavy Atom Count9
Formal Charge0
Complexity85
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
OR909174- (Methylamino) benzenethiol
FD62966-014- (Dimethylamino) benzenethiol
TRC-B680385-500MG2-Bromo-benzenethiol
TRC-C989250-5G4-Cyclohexyl-benzenethiol
430300-014-Amino-benzenethiol
418030-012-Fluoro-benzenethiol
JH920441Benzenethiol, 2- (diphenylphosphinyl) -
sc-2232872- (Trifluoromethyl) benzenethiol
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