2-chloro-1-methyl-3-(1-methylsulfanylcyclopropyl)benzene

C11H13ClS — CID 143929168

IUPAC2-chloro-1-methyl-3-(1-methylsulfanylcyclopropyl)benzene
SMILESCSC1(c2cccc(C)c2Cl)CC1
InChIInChI=1S/C11H13ClS/c1-8-4-3-5-9(10(8)12)11(13-2)6-7-11/h3-5H,6-7H2,1-2H3
InChIKeyBYYMXXCUQZWYBU-UHFFFAOYSA-N
MW212.75 g/mol
LogP4.00
Rot. Bonds2

About 2-chloro-1-methyl-3-(1-methylsulfanylcyclopropyl)benzene

2-chloro-1-methyl-3-(1-methylsulfanylcyclopropyl)benzene (PubChem CID 143929168) has the molecular formula C11H13ClS and a molecular weight of 212.75 g/mol. Its IUPAC name is 2-chloro-1-methyl-3-(1-methylsulfanylcyclopropyl)benzene.

Molecular Properties

Compound Name2-chloro-1-methyl-3-(1-methylsulfanylcyclopropyl)benzene
PubChem CID143929168
Molecular FormulaC11H13ClS
Molecular Weight212.75 g/mol
Exact Mass212.04
IUPAC Name2-chloro-1-methyl-3-(1-methylsulfanylcyclopropyl)benzene
SMILESCSC1(c2cccc(C)c2Cl)CC1
InChIInChI=1S/C11H13ClS/c1-8-4-3-5-9(10(8)12)11(13-2)6-7-11/h3-5H,6-7H2,1-2H3
InChIKeyBYYMXXCUQZWYBU-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.75
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-methyl-3-(1-methylsulfanylcyclopropyl)benzene?
The IUPAC name of 2-chloro-1-methyl-3-(1-methylsulfanylcyclopropyl)benzene (CID 143929168) is 2-chloro-1-methyl-3-(1-methylsulfanylcyclopropyl)benzene.
What is the SMILES notation for 2-chloro-1-methyl-3-(1-methylsulfanylcyclopropyl)benzene?
The canonical SMILES for 2-chloro-1-methyl-3-(1-methylsulfanylcyclopropyl)benzene is CSC1(c2cccc(C)c2Cl)CC1.
What is the InChIKey of 2-chloro-1-methyl-3-(1-methylsulfanylcyclopropyl)benzene?
The InChIKey is BYYMXXCUQZWYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClS/c1-8-4-3-5-9(10(8)12)11(13-2)6-7-11/h3-5H,6-7H2,1-2H3.
What are the key properties of 2-chloro-1-methyl-3-(1-methylsulfanylcyclopropyl)benzene?
2-chloro-1-methyl-3-(1-methylsulfanylcyclopropyl)benzene has a molecular weight of 212.75 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-methyl-3-(1-methylsulfanylcyclopropyl)benzene is sourced from PubChem (CID 143929168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).