1-chloro-2-(ethylsulfanylmethyl)-3-methylbenzene

C10H13ClS — CID 142244239

IUPAC1-chloro-2-(ethylsulfanylmethyl)-3-methylbenzene
SMILESCCSCc1c(C)cccc1Cl
InChIInChI=1S/C10H13ClS/c1-3-12-7-9-8(2)5-4-6-10(9)11/h4-6H,3,7H2,1-2H3
InChIKeyRFQARMOVOAJBCX-UHFFFAOYSA-N
MW200.73 g/mol
LogP3.90
Rot. Bonds3

About 1-chloro-2-(ethylsulfanylmethyl)-3-methylbenzene

1-chloro-2-(ethylsulfanylmethyl)-3-methylbenzene (PubChem CID 142244239) has the molecular formula C10H13ClS and a molecular weight of 200.73 g/mol. Its IUPAC name is 1-chloro-2-(ethylsulfanylmethyl)-3-methylbenzene.

Molecular Properties

Compound Name1-chloro-2-(ethylsulfanylmethyl)-3-methylbenzene
PubChem CID142244239
Molecular FormulaC10H13ClS
Molecular Weight200.73 g/mol
Exact Mass200.04
IUPAC Name1-chloro-2-(ethylsulfanylmethyl)-3-methylbenzene
SMILESCCSCc1c(C)cccc1Cl
InChIInChI=1S/C10H13ClS/c1-3-12-7-9-8(2)5-4-6-10(9)11/h4-6H,3,7H2,1-2H3
InChIKeyRFQARMOVOAJBCX-UHFFFAOYSA-N
XLogP3.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.73
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-dichloro-2-(ethylsulfanylmethyl)benzene
CID 59881902
1-chloro-2-[[(2E,4Z)-hexa-2,4-dien-3-yl]sulfanylmethyl]-3-methylbenzene
CID 129096900
CID 140826953
CID 140826953
2-(2-chloro-6-methylphenyl)ethanamine
CID 84731855
1-chloro-2-(2,2-dimethylpropyl)-3-methylbenzene
CID 118259234
1,3-dichloro-2-[(2-methylphenyl)sulfanylmethyl]benzene
CID 4991582
ethyl 2-[(2,6-dichlorophenyl)methylsulfanyl]acetate
CID 3462065
2-(2-chloro-6-methylphenyl)acetonitrile
CID 54246120
(2-chloro-6-methylphenyl)methanesulfonamide
CID 86163288
1-chloro-3-methyl-2-methylsulfanylbenzene;propane
CID 144523197
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(2,3-dimethylphenyl)acetamide
CID 53279072
3-(2-chloro-6-methylphenyl)propanoic acid
CID 84733648

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(ethylsulfanylmethyl)-3-methylbenzene?
The IUPAC name of 1-chloro-2-(ethylsulfanylmethyl)-3-methylbenzene (CID 142244239) is 1-chloro-2-(ethylsulfanylmethyl)-3-methylbenzene.
What is the SMILES notation for 1-chloro-2-(ethylsulfanylmethyl)-3-methylbenzene?
The canonical SMILES for 1-chloro-2-(ethylsulfanylmethyl)-3-methylbenzene is CCSCc1c(C)cccc1Cl.
What is the InChIKey of 1-chloro-2-(ethylsulfanylmethyl)-3-methylbenzene?
The InChIKey is RFQARMOVOAJBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClS/c1-3-12-7-9-8(2)5-4-6-10(9)11/h4-6H,3,7H2,1-2H3.
What are the key properties of 1-chloro-2-(ethylsulfanylmethyl)-3-methylbenzene?
1-chloro-2-(ethylsulfanylmethyl)-3-methylbenzene has a molecular weight of 200.73 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(ethylsulfanylmethyl)-3-methylbenzene is sourced from PubChem (CID 142244239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).