1-(chloromethyl)-2-(2-methoxyphenyl)sulfanylbenzene

C14H13ClOS — CID 141087077

IUPAC1-(chloromethyl)-2-(2-methoxyphenyl)sulfanylbenzene
SMILESCOc1ccccc1Sc1ccccc1CCl
InChIInChI=1S/C14H13ClOS/c1-16-12-7-3-5-9-14(12)17-13-8-4-2-6-11(13)10-15/h2-9H,10H2,1H3
InChIKeyGWSOXGMSDAJBBD-UHFFFAOYSA-N
MW264.78 g/mol
LogP4.59
Rot. Bonds4

About 1-(chloromethyl)-2-(2-methoxyphenyl)sulfanylbenzene

1-(chloromethyl)-2-(2-methoxyphenyl)sulfanylbenzene (PubChem CID 141087077) has the molecular formula C14H13ClOS and a molecular weight of 264.78 g/mol. Its IUPAC name is 1-(chloromethyl)-2-(2-methoxyphenyl)sulfanylbenzene.

Molecular Properties

Compound Name1-(chloromethyl)-2-(2-methoxyphenyl)sulfanylbenzene
PubChem CID141087077
Molecular FormulaC14H13ClOS
Molecular Weight264.78 g/mol
Exact Mass264.04
IUPAC Name1-(chloromethyl)-2-(2-methoxyphenyl)sulfanylbenzene
SMILESCOc1ccccc1Sc1ccccc1CCl
InChIInChI=1S/C14H13ClOS/c1-16-12-7-3-5-9-14(12)17-13-8-4-2-6-11(13)10-15/h2-9H,10H2,1H3
InChIKeyGWSOXGMSDAJBBD-UHFFFAOYSA-N
XLogP4.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.78
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-methoxyphenyl)sulfanylphenyl]butan-2-amine
CID 63818198
1-[2-(2-methoxyphenyl)sulfanylphenyl]-N-methylpropan-2-amine
CID 3075829
2-(2-methoxyphenoxy)-N-[[2-(2-methoxyphenyl)sulfanylphenyl]methyl]ethanamine
CID 141088604
[3-chloro-2-(2-methoxyphenyl)sulfanylphenyl]methanamine
CID 114070340
1-methoxy-2-[(2-methoxyphenyl)tetrasulfanyl]benzene
CID 54020197
N-[[2-(2-methoxyphenyl)sulfanylphenyl]methyl]-2-phenoxyethanamine
CID 141088572
[2-chloro-6-(2-methoxyphenyl)sulfanylphenyl]methanol
CID 63835528
N-[[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]methyl]propan-2-amine
CID 63814518
2-(2-methoxyphenyl)sulfanylbenzaldehyde
CID 12946428
1-(3-chloropropylsulfanyl)-2-methoxybenzene
CID 57163919
1-methoxy-4-(2-methoxyphenyl)sulfanyl-2,5-dimethylbenzene
CID 18738928
1-[2-(2-methoxyphenyl)sulfanylphenyl]ethanol
CID 63835196

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-2-(2-methoxyphenyl)sulfanylbenzene?
The IUPAC name of 1-(chloromethyl)-2-(2-methoxyphenyl)sulfanylbenzene (CID 141087077) is 1-(chloromethyl)-2-(2-methoxyphenyl)sulfanylbenzene.
What is the SMILES notation for 1-(chloromethyl)-2-(2-methoxyphenyl)sulfanylbenzene?
The canonical SMILES for 1-(chloromethyl)-2-(2-methoxyphenyl)sulfanylbenzene is COc1ccccc1Sc1ccccc1CCl.
What is the InChIKey of 1-(chloromethyl)-2-(2-methoxyphenyl)sulfanylbenzene?
The InChIKey is GWSOXGMSDAJBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClOS/c1-16-12-7-3-5-9-14(12)17-13-8-4-2-6-11(13)10-15/h2-9H,10H2,1H3.
What are the key properties of 1-(chloromethyl)-2-(2-methoxyphenyl)sulfanylbenzene?
1-(chloromethyl)-2-(2-methoxyphenyl)sulfanylbenzene has a molecular weight of 264.78 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-2-(2-methoxyphenyl)sulfanylbenzene is sourced from PubChem (CID 141087077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).