2-(cyclopropylsulfanylmethyl)naphthalene

C14H14S — CID 142244232

IUPAC2-(cyclopropylsulfanylmethyl)naphthalene
SMILESc1ccc2cc(CSC3CC3)ccc2c1
InChIInChI=1S/C14H14S/c1-2-4-13-9-11(5-6-12(13)3-1)10-15-14-7-8-14/h1-6,9,14H,7-8,10H2
InChIKeyAHEKPZPKAZCLKM-UHFFFAOYSA-N
MW214.33 g/mol
LogP4.24
Rot. Bonds3

About 2-(cyclopropylsulfanylmethyl)naphthalene

2-(cyclopropylsulfanylmethyl)naphthalene (PubChem CID 142244232) has the molecular formula C14H14S and a molecular weight of 214.33 g/mol. Its IUPAC name is 2-(cyclopropylsulfanylmethyl)naphthalene.

Molecular Properties

Compound Name2-(cyclopropylsulfanylmethyl)naphthalene
PubChem CID142244232
Molecular FormulaC14H14S
Molecular Weight214.33 g/mol
Exact Mass214.08
IUPAC Name2-(cyclopropylsulfanylmethyl)naphthalene
SMILESc1ccc2cc(CSC3CC3)ccc2c1
InChIInChI=1S/C14H14S/c1-2-4-13-9-11(5-6-12(13)3-1)10-15-14-7-8-14/h1-6,9,14H,7-8,10H2
InChIKeyAHEKPZPKAZCLKM-UHFFFAOYSA-N
XLogP4.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylsulfanylmethyl)naphthalene?
The IUPAC name of 2-(cyclopropylsulfanylmethyl)naphthalene (CID 142244232) is 2-(cyclopropylsulfanylmethyl)naphthalene.
What is the SMILES notation for 2-(cyclopropylsulfanylmethyl)naphthalene?
The canonical SMILES for 2-(cyclopropylsulfanylmethyl)naphthalene is c1ccc2cc(CSC3CC3)ccc2c1.
What is the InChIKey of 2-(cyclopropylsulfanylmethyl)naphthalene?
The InChIKey is AHEKPZPKAZCLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14S/c1-2-4-13-9-11(5-6-12(13)3-1)10-15-14-7-8-14/h1-6,9,14H,7-8,10H2.
What are the key properties of 2-(cyclopropylsulfanylmethyl)naphthalene?
2-(cyclopropylsulfanylmethyl)naphthalene has a molecular weight of 214.33 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylsulfanylmethyl)naphthalene is sourced from PubChem (CID 142244232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).