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

C9H8ClNS — CID 130969769

IUPAC7-chloro-2-methyl-1-benzothiophen-5-amine
SMILESCc1cc2cc(N)cc(Cl)c2s1
InChIInChI=1S/C9H8ClNS/c1-5-2-6-3-7(11)4-8(10)9(6)12-5/h2-4H,11H2,1H3
InChIKeyRLMJCCUOHMGUJK-UHFFFAOYSA-N
MW197.69 g/mol
LogP3.45
Rot. Bonds

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

7-chloro-2-methyl-1-benzothiophen-5-amine (PubChem CID 130969769) has the molecular formula C9H8ClNS and a molecular weight of 197.69 g/mol. Its IUPAC name is 7-chloro-2-methyl-1-benzothiophen-5-amine.

Molecular Properties

Compound Name7-chloro-2-methyl-1-benzothiophen-5-amine
PubChem CID130969769
Molecular FormulaC9H8ClNS
Molecular Weight197.69 g/mol
Exact Mass197.01
IUPAC Name7-chloro-2-methyl-1-benzothiophen-5-amine
SMILESCc1cc2cc(N)cc(Cl)c2s1
InChIInChI=1S/C9H8ClNS/c1-5-2-6-3-7(11)4-8(10)9(6)12-5/h2-4H,11H2,1H3
InChIKeyRLMJCCUOHMGUJK-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

5-amino-7-chloro-1-benzothiophene-2-carbaldehyde
CID 131030906
7-chloro-1-benzothiophen-5-amine
CID 68726057
7-methylthieno[3,2-g][1]benzothiol-2-amine
CID 129228320
2-chloro-1-benzothiophene-5,7-diamine
CID 131080471
5-chloro-7-ethoxy-2-methyl-1-benzothiophene
CID 130803709
ethane;2-methylthieno[2,3-b]pyridin-5-amine
CID 168913952
2-methyl-5-methylsulfanyl-1-benzothiophen-7-ol
CID 131001451
3-chloro-2,5-dimethylthiophene
CID 14900750
4-amino-2-chloro-6-ethylphenol
CID 91674507
2,5-dimethylthieno[2,3-b]thiophene
CID 58807308
2-(difluoromethyl)-7-methyl-1-benzothiophen-5-amine
CID 130805372
6-chloro-5-fluoro-2-methyl-1-benzothiophene
CID 20759995

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-methyl-1-benzothiophen-5-amine?
The IUPAC name of 7-chloro-2-methyl-1-benzothiophen-5-amine (CID 130969769) is 7-chloro-2-methyl-1-benzothiophen-5-amine.
What is the SMILES notation for 7-chloro-2-methyl-1-benzothiophen-5-amine?
The canonical SMILES for 7-chloro-2-methyl-1-benzothiophen-5-amine is Cc1cc2cc(N)cc(Cl)c2s1.
What is the InChIKey of 7-chloro-2-methyl-1-benzothiophen-5-amine?
The InChIKey is RLMJCCUOHMGUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNS/c1-5-2-6-3-7(11)4-8(10)9(6)12-5/h2-4H,11H2,1H3.
What are the key properties of 7-chloro-2-methyl-1-benzothiophen-5-amine?
7-chloro-2-methyl-1-benzothiophen-5-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 7-chloro-2-methyl-1-benzothiophen-5-amine is sourced from PubChem (CID 130969769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).