5-chloro-2-methylsulfanyl-N-(thiophen-2-ylmethyl)aniline

C12H12ClNS2 — CID 115744120

IUPAC5-chloro-2-methylsulfanyl-N-(thiophen-2-ylmethyl)aniline
SMILESCSc1ccc(Cl)cc1NCc1cccs1
InChIInChI=1S/C12H12ClNS2/c1-15-12-5-4-9(13)7-11(12)14-8-10-3-2-6-16-10/h2-7,14H,8H2,1H3
InChIKeyQFKAKRSRDSFJJS-UHFFFAOYSA-N
MW269.82 g/mol
LogP4.74
Rot. Bonds4

About 5-chloro-2-methylsulfanyl-N-(thiophen-2-ylmethyl)aniline

5-chloro-2-methylsulfanyl-N-(thiophen-2-ylmethyl)aniline (PubChem CID 115744120) has the molecular formula C12H12ClNS2 and a molecular weight of 269.82 g/mol. Its IUPAC name is 5-chloro-2-methylsulfanyl-N-(thiophen-2-ylmethyl)aniline.

Molecular Properties

Compound Name5-chloro-2-methylsulfanyl-N-(thiophen-2-ylmethyl)aniline
PubChem CID115744120
Molecular FormulaC12H12ClNS2
Molecular Weight269.82 g/mol
Exact Mass269.01
IUPAC Name5-chloro-2-methylsulfanyl-N-(thiophen-2-ylmethyl)aniline
SMILESCSc1ccc(Cl)cc1NCc1cccs1
InChIInChI=1S/C12H12ClNS2/c1-15-12-5-4-9(13)7-11(12)14-8-10-3-2-6-16-10/h2-7,14H,8H2,1H3
InChIKeyQFKAKRSRDSFJJS-UHFFFAOYSA-N
XLogP4.74
TPSA12.03 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 ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-chloro-1-N-(thiophen-2-ylmethyl)benzene-1,4-diamine
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5-bromo-2,4-difluoro-N-(thiophen-2-ylmethyl)aniline
CID 102852659
5-chloro-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 79557672
N-methyl-2-(thiophen-2-ylmethylamino)benzenesulfonamide
CID 43383430
N-(thiophen-2-ylmethyl)-2-(trifluoromethylsulfanyl)aniline
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(5-chloro-2-methylsulfanylphenyl)hydrazine;hydrochloride
CID 69183681
N-[(3,5-dichlorophenyl)methyl]-1-thiophen-2-ylmethanamine
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methylsulfanyl-N-(thiophen-2-ylmethyl)aniline?
The IUPAC name of 5-chloro-2-methylsulfanyl-N-(thiophen-2-ylmethyl)aniline (CID 115744120) is 5-chloro-2-methylsulfanyl-N-(thiophen-2-ylmethyl)aniline.
What is the SMILES notation for 5-chloro-2-methylsulfanyl-N-(thiophen-2-ylmethyl)aniline?
The canonical SMILES for 5-chloro-2-methylsulfanyl-N-(thiophen-2-ylmethyl)aniline is CSc1ccc(Cl)cc1NCc1cccs1.
What is the InChIKey of 5-chloro-2-methylsulfanyl-N-(thiophen-2-ylmethyl)aniline?
The InChIKey is QFKAKRSRDSFJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNS2/c1-15-12-5-4-9(13)7-11(12)14-8-10-3-2-6-16-10/h2-7,14H,8H2,1H3.
What are the key properties of 5-chloro-2-methylsulfanyl-N-(thiophen-2-ylmethyl)aniline?
5-chloro-2-methylsulfanyl-N-(thiophen-2-ylmethyl)aniline has a molecular weight of 269.82 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methylsulfanyl-N-(thiophen-2-ylmethyl)aniline is sourced from PubChem (CID 115744120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).