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

C9H8ClNS — CID 130805490

IUPAC6-chloro-5-methyl-1-benzothiophen-2-amine
SMILESCc1cc2cc(N)sc2cc1Cl
InChIInChI=1S/C9H8ClNS/c1-5-2-6-3-9(11)12-8(6)4-7(5)10/h2-4H,11H2,1H3
InChIKeyJHPPIPAQDXGLOG-UHFFFAOYSA-N
MW197.69 g/mol
LogP3.45
Rot. Bonds

About 6-chloro-5-methyl-1-benzothiophen-2-amine

6-chloro-5-methyl-1-benzothiophen-2-amine (PubChem CID 130805490) has the molecular formula C9H8ClNS and a molecular weight of 197.69 g/mol. Its IUPAC name is 6-chloro-5-methyl-1-benzothiophen-2-amine.

Molecular Properties

Compound Name6-chloro-5-methyl-1-benzothiophen-2-amine
PubChem CID130805490
Molecular FormulaC9H8ClNS
Molecular Weight197.69 g/mol
Exact Mass197.01
IUPAC Name6-chloro-5-methyl-1-benzothiophen-2-amine
SMILESCc1cc2cc(N)sc2cc1Cl
InChIInChI=1S/C9H8ClNS/c1-5-2-6-3-9(11)12-8(6)4-7(5)10/h2-4H,11H2,1H3
InChIKeyJHPPIPAQDXGLOG-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

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Related Compounds

2-amino-6-methyl-1-benzothiophene-5-carbaldehyde
CID 131218553
16-methyl-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-amine
CID 138592675
6-(chloromethyl)-5-ethyl-1-benzothiophen-2-amine
CID 130866214
6-chloro-2-ethyl-1-benzothiophen-5-amine
CID 130805171
6-(chloromethyl)-1-benzothiophene-2,5-diamine
CID 130788528
6-chloro-5-methyl-1-benzothiophen-3-amine
CID 131001222
6-chloro-5-methyl-1,2-benzothiazol-3-amine
CID 58841117
2-(chloromethyl)-5,6-dimethyl-1-benzothiophene
CID 130866193
1-benzothiophen-2-amine;hydrochloride
CID 66906726
1-benzothiophene-2,5-diamine
CID 89101949
1,5-dichloro-2,4-dimethylbenzene
CID 4174838
4-(5-chloro-2-methoxy-4-methylphenyl)-5-methylthiophen-2-amine
CID 82487478

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methyl-1-benzothiophen-2-amine?
The IUPAC name of 6-chloro-5-methyl-1-benzothiophen-2-amine (CID 130805490) is 6-chloro-5-methyl-1-benzothiophen-2-amine.
What is the SMILES notation for 6-chloro-5-methyl-1-benzothiophen-2-amine?
The canonical SMILES for 6-chloro-5-methyl-1-benzothiophen-2-amine is Cc1cc2cc(N)sc2cc1Cl.
What is the InChIKey of 6-chloro-5-methyl-1-benzothiophen-2-amine?
The InChIKey is JHPPIPAQDXGLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNS/c1-5-2-6-3-9(11)12-8(6)4-7(5)10/h2-4H,11H2,1H3.
What are the key properties of 6-chloro-5-methyl-1-benzothiophen-2-amine?
6-chloro-5-methyl-1-benzothiophen-2-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 6-chloro-5-methyl-1-benzothiophen-2-amine is sourced from PubChem (CID 130805490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).