1-chloro-3-methyl-2-methylsulfanylbenzene;propane

C11H17ClS — CID 144523197

IUPAC1-chloro-3-methyl-2-methylsulfanylbenzene;propane
SMILESCCC.CSc1c(C)cccc1Cl
InChIInChI=1S/C8H9ClS.C3H8/c1-6-4-3-5-7(9)8(6)10-2;1-3-2/h3-5H,1-2H3;3H2,1-2H3
InChIKeySXYUEHRHSRNCOK-UHFFFAOYSA-N
MW216.78 g/mol
LogP4.79
Rot. Bonds1

About 1-chloro-3-methyl-2-methylsulfanylbenzene;propane

1-chloro-3-methyl-2-methylsulfanylbenzene;propane (PubChem CID 144523197) has the molecular formula C11H17ClS and a molecular weight of 216.78 g/mol. Its IUPAC name is 1-chloro-3-methyl-2-methylsulfanylbenzene;propane.

Molecular Properties

Compound Name1-chloro-3-methyl-2-methylsulfanylbenzene;propane
PubChem CID144523197
Molecular FormulaC11H17ClS
Molecular Weight216.78 g/mol
Exact Mass216.07
IUPAC Name1-chloro-3-methyl-2-methylsulfanylbenzene;propane
SMILESCCC.CSc1c(C)cccc1Cl
InChIInChI=1S/C8H9ClS.C3H8/c1-6-4-3-5-7(9)8(6)10-2;1-3-2/h3-5H,1-2H3;3H2,1-2H3
InChIKeySXYUEHRHSRNCOK-UHFFFAOYSA-N
XLogP4.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.78
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-chloro-2-(ethylsulfanylmethyl)-3-methylbenzene
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1-chloro-3-methyl-2-prop-1-en-2-ylbenzene;propane
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2-[(E)-1-(3-chloro-2-methylsulfanylphenyl)propylideneamino]guanidine
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CID 66838097
CID 66838097
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1-chloro-5-fluoro-3-methyl-2-methylsulfanylbenzene
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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-methyl-2-methylsulfanylbenzene;propane?
The IUPAC name of 1-chloro-3-methyl-2-methylsulfanylbenzene;propane (CID 144523197) is 1-chloro-3-methyl-2-methylsulfanylbenzene;propane.
What is the SMILES notation for 1-chloro-3-methyl-2-methylsulfanylbenzene;propane?
The canonical SMILES for 1-chloro-3-methyl-2-methylsulfanylbenzene;propane is CCC.CSc1c(C)cccc1Cl.
What is the InChIKey of 1-chloro-3-methyl-2-methylsulfanylbenzene;propane?
The InChIKey is SXYUEHRHSRNCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClS.C3H8/c1-6-4-3-5-7(9)8(6)10-2;1-3-2/h3-5H,1-2H3;3H2,1-2H3.
What are the key properties of 1-chloro-3-methyl-2-methylsulfanylbenzene;propane?
1-chloro-3-methyl-2-methylsulfanylbenzene;propane has a molecular weight of 216.78 g/mol, XLogP of 4.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-methyl-2-methylsulfanylbenzene;propane is sourced from PubChem (CID 144523197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).