2-(2-chlorophenyl)sulfanyl-1-thiophen-3-ylethanamine

C12H12ClNS2 — CID 66141801

IUPAC2-(2-chlorophenyl)sulfanyl-1-thiophen-3-ylethanamine
SMILESNC(CSc1ccccc1Cl)c1ccsc1
InChIInChI=1S/C12H12ClNS2/c13-10-3-1-2-4-12(10)16-8-11(14)9-5-6-15-7-9/h1-7,11H,8,14H2
InChIKeyOYGPJPJWXIUHDD-UHFFFAOYSA-N
MW269.82 g/mol
LogP4.19
Rot. Bonds4

About 2-(2-chlorophenyl)sulfanyl-1-thiophen-3-ylethanamine

2-(2-chlorophenyl)sulfanyl-1-thiophen-3-ylethanamine (PubChem CID 66141801) has the molecular formula C12H12ClNS2 and a molecular weight of 269.82 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-1-thiophen-3-ylethanamine.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-1-thiophen-3-ylethanamine
PubChem CID66141801
Molecular FormulaC12H12ClNS2
Molecular Weight269.82 g/mol
Exact Mass269.01
IUPAC Name2-(2-chlorophenyl)sulfanyl-1-thiophen-3-ylethanamine
SMILESNC(CSc1ccccc1Cl)c1ccsc1
InChIInChI=1S/C12H12ClNS2/c13-10-3-1-2-4-12(10)16-8-11(14)9-5-6-15-7-9/h1-7,11H,8,14H2
InChIKeyOYGPJPJWXIUHDD-UHFFFAOYSA-N
XLogP4.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)sulfanyl-1-thiophen-3-ylethanamine
CID 66072212
2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)ethanamine
CID 64619722
(2S)-1-(2-chlorophenyl)sulfanylbutan-2-amine
CID 104932240
2-(2-chlorophenyl)sulfanyl-1-(3-methoxyphenyl)ethanamine
CID 64621667
2-(2-chlorophenyl)sulfanyl-1-(2,3-difluorophenyl)ethanamine
CID 66141187
(R)-(4-chloro-3-fluorophenyl)-thiophen-3-ylmethanamine
CID 171229047
(R)-(3,4-dichlorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171220907
1-(2-chlorophenyl)sulfanyl-5,5-dimethylhexan-2-amine
CID 66139564
(1R)-1-thiophen-3-ylpropan-1-amine;hydrochloride
CID 171210593
2-(2-chlorophenyl)sulfanyl-1-(2,6-difluoro-3-methylphenyl)ethanamine
CID 82822306
1-(2-chlorophenyl)sulfanyl-3-methylbut-3-en-2-amine
CID 79178847
2-(2-chlorophenyl)sulfanyl-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 104542641

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-1-thiophen-3-ylethanamine?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-1-thiophen-3-ylethanamine (CID 66141801) is 2-(2-chlorophenyl)sulfanyl-1-thiophen-3-ylethanamine.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-1-thiophen-3-ylethanamine?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-1-thiophen-3-ylethanamine is NC(CSc1ccccc1Cl)c1ccsc1.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-1-thiophen-3-ylethanamine?
The InChIKey is OYGPJPJWXIUHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNS2/c13-10-3-1-2-4-12(10)16-8-11(14)9-5-6-15-7-9/h1-7,11H,8,14H2.
What are the key properties of 2-(2-chlorophenyl)sulfanyl-1-thiophen-3-ylethanamine?
2-(2-chlorophenyl)sulfanyl-1-thiophen-3-ylethanamine has a molecular weight of 269.82 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-1-thiophen-3-ylethanamine is sourced from PubChem (CID 66141801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).