3-(3-chlorophenyl)sulfanyl-N-methyl-1-benzothiophen-2-amine

C15H12ClNS2 — CID 123208947

IUPAC3-(3-chlorophenyl)sulfanyl-N-methyl-1-benzothiophen-2-amine
SMILESCNc1sc2ccccc2c1Sc1cccc(Cl)c1
InChIInChI=1S/C15H12ClNS2/c1-17-15-14(12-7-2-3-8-13(12)19-15)18-11-6-4-5-10(16)9-11/h2-9,17H,1H3
InChIKeyAZBMLFAUVIYNGT-UHFFFAOYSA-N
MW305.86 g/mol
LogP5.75
Rot. Bonds3

About 3-(3-chlorophenyl)sulfanyl-N-methyl-1-benzothiophen-2-amine

3-(3-chlorophenyl)sulfanyl-N-methyl-1-benzothiophen-2-amine (PubChem CID 123208947) has the molecular formula C15H12ClNS2 and a molecular weight of 305.86 g/mol. Its IUPAC name is 3-(3-chlorophenyl)sulfanyl-N-methyl-1-benzothiophen-2-amine.

Molecular Properties

Compound Name3-(3-chlorophenyl)sulfanyl-N-methyl-1-benzothiophen-2-amine
PubChem CID123208947
Molecular FormulaC15H12ClNS2
Molecular Weight305.86 g/mol
Exact Mass305.01
IUPAC Name3-(3-chlorophenyl)sulfanyl-N-methyl-1-benzothiophen-2-amine
SMILESCNc1sc2ccccc2c1Sc1cccc(Cl)c1
InChIInChI=1S/C15H12ClNS2/c1-17-15-14(12-7-2-3-8-13(12)19-15)18-11-6-4-5-10(16)9-11/h2-9,17H,1H3
InChIKeyAZBMLFAUVIYNGT-UHFFFAOYSA-N
XLogP5.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.86
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)sulfanyl-N-methyl-1-benzothiophen-2-amine?
The IUPAC name of 3-(3-chlorophenyl)sulfanyl-N-methyl-1-benzothiophen-2-amine (CID 123208947) is 3-(3-chlorophenyl)sulfanyl-N-methyl-1-benzothiophen-2-amine.
What is the SMILES notation for 3-(3-chlorophenyl)sulfanyl-N-methyl-1-benzothiophen-2-amine?
The canonical SMILES for 3-(3-chlorophenyl)sulfanyl-N-methyl-1-benzothiophen-2-amine is CNc1sc2ccccc2c1Sc1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)sulfanyl-N-methyl-1-benzothiophen-2-amine?
The InChIKey is AZBMLFAUVIYNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNS2/c1-17-15-14(12-7-2-3-8-13(12)19-15)18-11-6-4-5-10(16)9-11/h2-9,17H,1H3.
What are the key properties of 3-(3-chlorophenyl)sulfanyl-N-methyl-1-benzothiophen-2-amine?
3-(3-chlorophenyl)sulfanyl-N-methyl-1-benzothiophen-2-amine has a molecular weight of 305.86 g/mol, XLogP of 5.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)sulfanyl-N-methyl-1-benzothiophen-2-amine is sourced from PubChem (CID 123208947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).