3-chloro-N-(furan-3-ylmethyl)-4-methylsulfanylaniline

C12H12ClNOS — CID 115744212

IUPAC3-chloro-N-(furan-3-ylmethyl)-4-methylsulfanylaniline
SMILESCSc1ccc(NCc2ccoc2)cc1Cl
InChIInChI=1S/C12H12ClNOS/c1-16-12-3-2-10(6-11(12)13)14-7-9-4-5-15-8-9/h2-6,8,14H,7H2,1H3
InChIKeyVHEFDINJCZGYQG-UHFFFAOYSA-N
MW253.75 g/mol
LogP4.27
Rot. Bonds4

About 3-chloro-N-(furan-3-ylmethyl)-4-methylsulfanylaniline

3-chloro-N-(furan-3-ylmethyl)-4-methylsulfanylaniline (PubChem CID 115744212) has the molecular formula C12H12ClNOS and a molecular weight of 253.75 g/mol. Its IUPAC name is 3-chloro-N-(furan-3-ylmethyl)-4-methylsulfanylaniline.

Molecular Properties

Compound Name3-chloro-N-(furan-3-ylmethyl)-4-methylsulfanylaniline
PubChem CID115744212
Molecular FormulaC12H12ClNOS
Molecular Weight253.75 g/mol
Exact Mass253.03
IUPAC Name3-chloro-N-(furan-3-ylmethyl)-4-methylsulfanylaniline
SMILESCSc1ccc(NCc2ccoc2)cc1Cl
InChIInChI=1S/C12H12ClNOS/c1-16-12-3-2-10(6-11(12)13)14-7-9-4-5-15-8-9/h2-6,8,14H,7H2,1H3
InChIKeyVHEFDINJCZGYQG-UHFFFAOYSA-N
XLogP4.27
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.75
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-chloro-N-(furan-3-ylmethyl)-4-methylsulfanylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N-(furan-3-ylmethyl)-4-methoxyaniline
CID 63203405
2-chloro-4-N-(furan-3-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine
CID 63204464
3-chloro-4-methylsulfanyl-N-(thiophen-3-ylmethyl)aniline
CID 115744205
4-chloro-N-(furan-3-ylmethyl)-3-methoxyaniline
CID 107268066
N-(furan-3-ylmethyl)-3,4-dimethylaniline
CID 63204332
4-fluoro-N-(furan-3-ylmethyl)-3-methylaniline
CID 63204789
4-bromo-3-fluoro-N-(furan-3-ylmethyl)aniline
CID 65435326
2,4,5-trichloro-N-(furan-3-ylmethyl)aniline
CID 63203660
6-bromo-N-(furan-3-ylmethyl)naphthalen-2-amine
CID 81260316
N-(furan-3-ylmethyl)-1,3-dihydro-2-benzofuran-5-amine
CID 115881537
4-N-(furan-3-ylmethyl)benzene-1,4-diamine;hydrochloride
CID 22486431
2,6-dichloro-N-(furan-3-ylmethyl)aniline
CID 65468765

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(furan-3-ylmethyl)-4-methylsulfanylaniline?
The IUPAC name of 3-chloro-N-(furan-3-ylmethyl)-4-methylsulfanylaniline (CID 115744212) is 3-chloro-N-(furan-3-ylmethyl)-4-methylsulfanylaniline.
What is the SMILES notation for 3-chloro-N-(furan-3-ylmethyl)-4-methylsulfanylaniline?
The canonical SMILES for 3-chloro-N-(furan-3-ylmethyl)-4-methylsulfanylaniline is CSc1ccc(NCc2ccoc2)cc1Cl.
What is the InChIKey of 3-chloro-N-(furan-3-ylmethyl)-4-methylsulfanylaniline?
The InChIKey is VHEFDINJCZGYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNOS/c1-16-12-3-2-10(6-11(12)13)14-7-9-4-5-15-8-9/h2-6,8,14H,7H2,1H3.
What are the key properties of 3-chloro-N-(furan-3-ylmethyl)-4-methylsulfanylaniline?
3-chloro-N-(furan-3-ylmethyl)-4-methylsulfanylaniline has a molecular weight of 253.75 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(furan-3-ylmethyl)-4-methylsulfanylaniline is sourced from PubChem (CID 115744212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).