formic acid;2-propylsulfanylnaphthalene

C14H16O2S — CID 143073136

IUPACformic acid;2-propylsulfanylnaphthalene
SMILESCCCSc1ccc2ccccc2c1.O=CO
InChIInChI=1S/C13H14S.CH2O2/c1-2-9-14-13-8-7-11-5-3-4-6-12(11)10-13;2-1-3/h3-8,10H,2,9H2,1H3;1H,(H,2,3)
InChIKeyPWWIACIWURTFTG-UHFFFAOYSA-N
MW248.35 g/mol
LogP4.04
Rot. Bonds3

About formic acid;2-propylsulfanylnaphthalene

formic acid;2-propylsulfanylnaphthalene (PubChem CID 143073136) has the molecular formula C14H16O2S and a molecular weight of 248.35 g/mol. Its IUPAC name is formic acid;2-propylsulfanylnaphthalene.

Molecular Properties

Compound Nameformic acid;2-propylsulfanylnaphthalene
PubChem CID143073136
Molecular FormulaC14H16O2S
Molecular Weight248.35 g/mol
Exact Mass248.09
IUPAC Nameformic acid;2-propylsulfanylnaphthalene
SMILESCCCSc1ccc2ccccc2c1.O=CO
InChIInChI=1S/C13H14S.CH2O2/c1-2-9-14-13-8-7-11-5-3-4-6-12(11)10-13;2-1-3/h3-8,10H,2,9H2,1H3;1H,(H,2,3)
InChIKeyPWWIACIWURTFTG-UHFFFAOYSA-N
XLogP4.04
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-naphthalen-2-ylsulfanylpentan-2-one
CID 62042537
5-naphthalen-2-ylsulfanylpentanehydrazide
CID 55213311
2-(2-bromoethylsulfanyl)naphthalene
CID 43519120
2-(4-chlorobutylsulfanyl)naphthalene
CID 63501641
2-methyl-9-naphthalen-2-ylsulfanylnon-2-enoic acid
CID 155672864
1-naphthalen-2-ylsulfanylpentan-3-amine
CID 153445073
methyl 6-naphthalen-2-ylsulfanylhexanoate
CID 135366329
6-naphthalen-2-ylsulfanylhexan-3-amine
CID 106808319
formic acid;naphthalene
CID 137353924
ethyl 3-anthracen-2-ylsulfanylpropanoate
CID 11659590
2-hex-5-ynylsulfanylnaphthalene
CID 150332529
1-propylsulfanyl-4-(4-propylsulfanylphenoxy)benzene
CID 3090414

Frequently Asked Questions

What is the IUPAC name of formic acid;2-propylsulfanylnaphthalene?
The IUPAC name of formic acid;2-propylsulfanylnaphthalene (CID 143073136) is formic acid;2-propylsulfanylnaphthalene.
What is the SMILES notation for formic acid;2-propylsulfanylnaphthalene?
The canonical SMILES for formic acid;2-propylsulfanylnaphthalene is CCCSc1ccc2ccccc2c1.O=CO.
What is the InChIKey of formic acid;2-propylsulfanylnaphthalene?
The InChIKey is PWWIACIWURTFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14S.CH2O2/c1-2-9-14-13-8-7-11-5-3-4-6-12(11)10-13;2-1-3/h3-8,10H,2,9H2,1H3;1H,(H,2,3).
What are the key properties of formic acid;2-propylsulfanylnaphthalene?
formic acid;2-propylsulfanylnaphthalene has a molecular weight of 248.35 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;2-propylsulfanylnaphthalene is sourced from PubChem (CID 143073136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).