2-(2-methylbutylsulfanyl)naphthalene

C15H18S — CID 122377302

IUPAC2-(2-methylbutylsulfanyl)naphthalene
SMILESCCC(C)CSc1ccc2ccccc2c1
InChIInChI=1S/C15H18S/c1-3-12(2)11-16-15-9-8-13-6-4-5-7-14(13)10-15/h4-10,12H,3,11H2,1-2H3
InChIKeyRZTDJRMZKSGYOH-UHFFFAOYSA-N
MW230.38 g/mol
LogP4.98
Rot. Bonds4

About 2-(2-methylbutylsulfanyl)naphthalene

2-(2-methylbutylsulfanyl)naphthalene (PubChem CID 122377302) has the molecular formula C15H18S and a molecular weight of 230.38 g/mol. Its IUPAC name is 2-(2-methylbutylsulfanyl)naphthalene.

Molecular Properties

Compound Name2-(2-methylbutylsulfanyl)naphthalene
PubChem CID122377302
Molecular FormulaC15H18S
Molecular Weight230.38 g/mol
Exact Mass230.11
IUPAC Name2-(2-methylbutylsulfanyl)naphthalene
SMILESCCC(C)CSc1ccc2ccccc2c1
InChIInChI=1S/C15H18S/c1-3-12(2)11-16-15-9-8-13-6-4-5-7-14(13)10-15/h4-10,12H,3,11H2,1-2H3
InChIKeyRZTDJRMZKSGYOH-UHFFFAOYSA-N
XLogP4.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Naphthalenethiol
CID 7058
Acetic acid, 2-(2-naphthalenylthio)-
CID 66728
4,4'-Bis(ethylthio)biphenyl
CID 4026825
2-(Ethenesulfonyl)naphthalene
CID 305562
2-((4-Fluorobenzyl)sulfinyl)naphthalene
CID 141537137
Naphthalene, 1,5-bis(methylthio)-
CID 24906
Naphthalene, 1-(methylthio)-
CID 66240
Naphthalene, 1,4-bis(methylthio)-
CID 139089
1-(Phenylthio)naphthalene
CID 291319
2-(Phenylsulfanyl)naphthalene
CID 291320
1-Ethylsulfonylnaphthalene
CID 14044442
2-Methylmercaptonaphthalene
CID 139022

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbutylsulfanyl)naphthalene?
The IUPAC name of 2-(2-methylbutylsulfanyl)naphthalene (CID 122377302) is 2-(2-methylbutylsulfanyl)naphthalene.
What is the SMILES notation for 2-(2-methylbutylsulfanyl)naphthalene?
The canonical SMILES for 2-(2-methylbutylsulfanyl)naphthalene is CCC(C)CSc1ccc2ccccc2c1.
What is the InChIKey of 2-(2-methylbutylsulfanyl)naphthalene?
The InChIKey is RZTDJRMZKSGYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18S/c1-3-12(2)11-16-15-9-8-13-6-4-5-7-14(13)10-15/h4-10,12H,3,11H2,1-2H3.
What are the key properties of 2-(2-methylbutylsulfanyl)naphthalene?
2-(2-methylbutylsulfanyl)naphthalene has a molecular weight of 230.38 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutylsulfanyl)naphthalene is sourced from PubChem (CID 122377302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).