cyclopropylsulfanylmethylbenzene

C10H12S — CID 12820210

IUPACcyclopropylsulfanylmethylbenzene
SMILESc1ccc(CSC2CC2)cc1
InChIInChI=1S/C10H12S/c1-2-4-9(5-3-1)8-11-10-6-7-10/h1-5,10H,6-8H2
InChIKeyMCOJYOBVAJJXLC-UHFFFAOYSA-N
MW164.27 g/mol
LogP3.08
Rot. Bonds3

About cyclopropylsulfanylmethylbenzene

cyclopropylsulfanylmethylbenzene (PubChem CID 12820210) has the molecular formula C10H12S and a molecular weight of 164.27 g/mol. Its IUPAC name is cyclopropylsulfanylmethylbenzene.

Molecular Properties

Compound Namecyclopropylsulfanylmethylbenzene
PubChem CID12820210
Molecular FormulaC10H12S
Molecular Weight164.27 g/mol
Exact Mass164.07
IUPAC Namecyclopropylsulfanylmethylbenzene
SMILESc1ccc(CSC2CC2)cc1
InChIInChI=1S/C10H12S/c1-2-4-9(5-3-1)8-11-10-6-7-10/h1-5,10H,6-8H2
InChIKeyMCOJYOBVAJJXLC-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.27
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cyclopropylsulfanylmethylbenzene?
The IUPAC name of cyclopropylsulfanylmethylbenzene (CID 12820210) is cyclopropylsulfanylmethylbenzene.
What is the SMILES notation for cyclopropylsulfanylmethylbenzene?
The canonical SMILES for cyclopropylsulfanylmethylbenzene is c1ccc(CSC2CC2)cc1.
What is the InChIKey of cyclopropylsulfanylmethylbenzene?
The InChIKey is MCOJYOBVAJJXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12S/c1-2-4-9(5-3-1)8-11-10-6-7-10/h1-5,10H,6-8H2.
What are the key properties of cyclopropylsulfanylmethylbenzene?
cyclopropylsulfanylmethylbenzene has a molecular weight of 164.27 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylsulfanylmethylbenzene is sourced from PubChem (CID 12820210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).