2-chloro-5-methyl-1-benzothiophen-7-amine

C9H8ClNS — CID 131034093

IUPAC2-chloro-5-methyl-1-benzothiophen-7-amine
SMILESCc1cc(N)c2sc(Cl)cc2c1
InChIInChI=1S/C9H8ClNS/c1-5-2-6-4-8(10)12-9(6)7(11)3-5/h2-4H,11H2,1H3
InChIKeyGLTDXRIXRBZBLS-UHFFFAOYSA-N
MW197.69 g/mol
LogP3.45
Rot. Bonds

About 2-chloro-5-methyl-1-benzothiophen-7-amine

2-chloro-5-methyl-1-benzothiophen-7-amine (PubChem CID 131034093) has the molecular formula C9H8ClNS and a molecular weight of 197.69 g/mol. Its IUPAC name is 2-chloro-5-methyl-1-benzothiophen-7-amine.

Molecular Properties

Compound Name2-chloro-5-methyl-1-benzothiophen-7-amine
PubChem CID131034093
Molecular FormulaC9H8ClNS
Molecular Weight197.69 g/mol
Exact Mass197.01
IUPAC Name2-chloro-5-methyl-1-benzothiophen-7-amine
SMILESCc1cc(N)c2sc(Cl)cc2c1
InChIInChI=1S/C9H8ClNS/c1-5-2-6-4-8(10)12-9(6)7(11)3-5/h2-4H,11H2,1H3
InChIKeyGLTDXRIXRBZBLS-UHFFFAOYSA-N
XLogP3.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.69
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-chloro-1-benzothiophene-5,7-diamine
CID 131080471
2-chloro-5-methylsulfanyl-1-benzothiophen-7-ol
CID 130985425
N-(2-amino-6-bromo-4-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 116813707
7-chloro-2-methyl-1-benzothiophen-5-amine
CID 130969769
7-chloro-5-methyl-1-benzothiophene-2-carboxylic acid
CID 118444652
2-chloro-7-ethyl-5-methylsulfanyl-1-benzothiophene
CID 130969913
7-amino-2-methoxy-1-benzothiophene-5-thiol
CID 131123892
5-(bromomethyl)-2-chloro-7-methylsulfanyl-1-benzothiophene
CID 131138077
2,5-dibromo-1-benzothiophen-7-amine
CID 130870284
2,6-dimethylnaphthalene-1,3,8-triamine
CID 158818668
2,6-dichloro-4-methylaniline;ethane
CID 143233725
7-amino-5-fluoro-1-benzothiophen-2-ol
CID 131169647

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-1-benzothiophen-7-amine?
The IUPAC name of 2-chloro-5-methyl-1-benzothiophen-7-amine (CID 131034093) is 2-chloro-5-methyl-1-benzothiophen-7-amine.
What is the SMILES notation for 2-chloro-5-methyl-1-benzothiophen-7-amine?
The canonical SMILES for 2-chloro-5-methyl-1-benzothiophen-7-amine is Cc1cc(N)c2sc(Cl)cc2c1.
What is the InChIKey of 2-chloro-5-methyl-1-benzothiophen-7-amine?
The InChIKey is GLTDXRIXRBZBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNS/c1-5-2-6-4-8(10)12-9(6)7(11)3-5/h2-4H,11H2,1H3.
What are the key properties of 2-chloro-5-methyl-1-benzothiophen-7-amine?
2-chloro-5-methyl-1-benzothiophen-7-amine has a molecular weight of 197.69 g/mol, XLogP of 3.45, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-1-benzothiophen-7-amine is sourced from PubChem (CID 131034093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).