1-(3-methylsulfanyl-1-phenylpropyl)naphthalene

C20H20S — CID 91090782

IUPAC1-(3-methylsulfanyl-1-phenylpropyl)naphthalene
SMILESCSCCC(c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C20H20S/c1-21-15-14-19(16-8-3-2-4-9-16)20-13-7-11-17-10-5-6-12-18(17)20/h2-13,19H,14-15H2,1H3
InChIKeyGPLIMIKYIHUVMQ-UHFFFAOYSA-N
MW292.45 g/mol
LogP5.72
Rot. Bonds5

About 1-(3-methylsulfanyl-1-phenylpropyl)naphthalene

1-(3-methylsulfanyl-1-phenylpropyl)naphthalene (PubChem CID 91090782) has the molecular formula C20H20S and a molecular weight of 292.45 g/mol. Its IUPAC name is 1-(3-methylsulfanyl-1-phenylpropyl)naphthalene.

Molecular Properties

Compound Name1-(3-methylsulfanyl-1-phenylpropyl)naphthalene
PubChem CID91090782
Molecular FormulaC20H20S
Molecular Weight292.45 g/mol
Exact Mass292.13
IUPAC Name1-(3-methylsulfanyl-1-phenylpropyl)naphthalene
SMILESCSCCC(c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C20H20S/c1-21-15-14-19(16-8-3-2-4-9-16)20-13-7-11-17-10-5-6-12-18(17)20/h2-13,19H,14-15H2,1H3
InChIKeyGPLIMIKYIHUVMQ-UHFFFAOYSA-N
XLogP5.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.45
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3R)-3-naphthalen-1-yl-3-phenylpropyl]acetamide
CID 171616627
(1S)-N-(1-naphthalen-1-ylethyl)-1-phenylethanamine
CID 78956224
ethyl (3S)-3-naphthalen-1-yl-3-phenylpropanoate
CID 71517486
(1R,2S)-1-naphthalen-1-yl-2-phenylpropan-1-ol
CID 11161331
1-[phenyl-(4-propan-2-ylphenyl)methyl]naphthalene
CID 140715231
1-[(1R)-1-[[(1R)-1-naphthalen-1-ylethyl]disulfanyl]ethyl]naphthalene
CID 131854345
4,4-dinaphthalen-1-ylbutylphosphane
CID 141348188
N,N-dimethyl-3-naphthalen-1-yl-3-thiophen-3-ylpropan-1-amine
CID 141116798
2-[(Z)-(4-naphthalen-1-yl-4-phenylbutan-2-ylidene)amino]guanidine
CID 171986729
deuterium monohydride;(1R)-1-naphthalen-1-ylethanamine
CID 158157747
1-(dinaphthalen-1-ylmethyl)pyridin-1-ium
CID 139416139
1-[(4-methoxyphenyl)-phenylmethyl]naphthalene
CID 19697043

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylsulfanyl-1-phenylpropyl)naphthalene?
The IUPAC name of 1-(3-methylsulfanyl-1-phenylpropyl)naphthalene (CID 91090782) is 1-(3-methylsulfanyl-1-phenylpropyl)naphthalene.
What is the SMILES notation for 1-(3-methylsulfanyl-1-phenylpropyl)naphthalene?
The canonical SMILES for 1-(3-methylsulfanyl-1-phenylpropyl)naphthalene is CSCCC(c1ccccc1)c1cccc2ccccc12.
What is the InChIKey of 1-(3-methylsulfanyl-1-phenylpropyl)naphthalene?
The InChIKey is GPLIMIKYIHUVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20S/c1-21-15-14-19(16-8-3-2-4-9-16)20-13-7-11-17-10-5-6-12-18(17)20/h2-13,19H,14-15H2,1H3.
What are the key properties of 1-(3-methylsulfanyl-1-phenylpropyl)naphthalene?
1-(3-methylsulfanyl-1-phenylpropyl)naphthalene has a molecular weight of 292.45 g/mol, XLogP of 5.72, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylsulfanyl-1-phenylpropyl)naphthalene is sourced from PubChem (CID 91090782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).