5-chloro-7-methyl-1-benzothiophen-6-amine

C9H8ClNS — CID 130969770

IUPAC5-chloro-7-methyl-1-benzothiophen-6-amine
SMILESCc1c(N)c(Cl)cc2ccsc12
InChIInChI=1S/C9H8ClNS/c1-5-8(11)7(10)4-6-2-3-12-9(5)6/h2-4H,11H2,1H3
InChIKeyNGCDNEFBEQTRGT-UHFFFAOYSA-N
MW197.69 g/mol
LogP3.45
Rot. Bonds

About 5-chloro-7-methyl-1-benzothiophen-6-amine

5-chloro-7-methyl-1-benzothiophen-6-amine (PubChem CID 130969770) has the molecular formula C9H8ClNS and a molecular weight of 197.69 g/mol. Its IUPAC name is 5-chloro-7-methyl-1-benzothiophen-6-amine.

Molecular Properties

Compound Name5-chloro-7-methyl-1-benzothiophen-6-amine
PubChem CID130969770
Molecular FormulaC9H8ClNS
Molecular Weight197.69 g/mol
Exact Mass197.01
IUPAC Name5-chloro-7-methyl-1-benzothiophen-6-amine
SMILESCc1c(N)c(Cl)cc2ccsc12
InChIInChI=1S/C9H8ClNS/c1-5-8(11)7(10)4-6-2-3-12-9(5)6/h2-4H,11H2,1H3
InChIKeyNGCDNEFBEQTRGT-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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Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-methyl-1-benzothiophen-6-amine?
The IUPAC name of 5-chloro-7-methyl-1-benzothiophen-6-amine (CID 130969770) is 5-chloro-7-methyl-1-benzothiophen-6-amine.
What is the SMILES notation for 5-chloro-7-methyl-1-benzothiophen-6-amine?
The canonical SMILES for 5-chloro-7-methyl-1-benzothiophen-6-amine is Cc1c(N)c(Cl)cc2ccsc12.
What is the InChIKey of 5-chloro-7-methyl-1-benzothiophen-6-amine?
The InChIKey is NGCDNEFBEQTRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNS/c1-5-8(11)7(10)4-6-2-3-12-9(5)6/h2-4H,11H2,1H3.
What are the key properties of 5-chloro-7-methyl-1-benzothiophen-6-amine?
5-chloro-7-methyl-1-benzothiophen-6-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 5-chloro-7-methyl-1-benzothiophen-6-amine is sourced from PubChem (CID 130969770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).