1-cyclopropyloxy-2-(1-methylsulfanylethyl)benzene

C12H16OS — CID 146621005

IUPAC1-cyclopropyloxy-2-(1-methylsulfanylethyl)benzene
SMILESCSC(C)c1ccccc1OC1CC1
InChIInChI=1S/C12H16OS/c1-9(14-2)11-5-3-4-6-12(11)13-10-7-8-10/h3-6,9-10H,7-8H2,1-2H3
InChIKeyUHNAWZRWQDPRNB-UHFFFAOYSA-N
MW208.33 g/mol
LogP3.65
Rot. Bonds4

About 1-cyclopropyloxy-2-(1-methylsulfanylethyl)benzene

1-cyclopropyloxy-2-(1-methylsulfanylethyl)benzene (PubChem CID 146621005) has the molecular formula C12H16OS and a molecular weight of 208.33 g/mol. Its IUPAC name is 1-cyclopropyloxy-2-(1-methylsulfanylethyl)benzene.

Molecular Properties

Compound Name1-cyclopropyloxy-2-(1-methylsulfanylethyl)benzene
PubChem CID146621005
Molecular FormulaC12H16OS
Molecular Weight208.33 g/mol
Exact Mass208.09
IUPAC Name1-cyclopropyloxy-2-(1-methylsulfanylethyl)benzene
SMILESCSC(C)c1ccccc1OC1CC1
InChIInChI=1S/C12H16OS/c1-9(14-2)11-5-3-4-6-12(11)13-10-7-8-10/h3-6,9-10H,7-8H2,1-2H3
InChIKeyUHNAWZRWQDPRNB-UHFFFAOYSA-N
XLogP3.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyloxy-2-(1-methylsulfanylethyl)benzene?
The IUPAC name of 1-cyclopropyloxy-2-(1-methylsulfanylethyl)benzene (CID 146621005) is 1-cyclopropyloxy-2-(1-methylsulfanylethyl)benzene.
What is the SMILES notation for 1-cyclopropyloxy-2-(1-methylsulfanylethyl)benzene?
The canonical SMILES for 1-cyclopropyloxy-2-(1-methylsulfanylethyl)benzene is CSC(C)c1ccccc1OC1CC1.
What is the InChIKey of 1-cyclopropyloxy-2-(1-methylsulfanylethyl)benzene?
The InChIKey is UHNAWZRWQDPRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16OS/c1-9(14-2)11-5-3-4-6-12(11)13-10-7-8-10/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 1-cyclopropyloxy-2-(1-methylsulfanylethyl)benzene?
1-cyclopropyloxy-2-(1-methylsulfanylethyl)benzene has a molecular weight of 208.33 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyloxy-2-(1-methylsulfanylethyl)benzene is sourced from PubChem (CID 146621005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).