6-(3-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalene

C17H18S — CID 144987176

IUPAC6-(3-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalene
SMILESCc1cccc(Sc2ccc3c(c2)CCCC3)c1
InChIInChI=1S/C17H18S/c1-13-5-4-8-16(11-13)18-17-10-9-14-6-2-3-7-15(14)12-17/h4-5,8-12H,2-3,6-7H2,1H3
InChIKeyPVOQMJWSSJGJEY-UHFFFAOYSA-N
MW254.40 g/mol
LogP5.03
Rot. Bonds2

About 6-(3-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalene

6-(3-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 144987176) has the molecular formula C17H18S and a molecular weight of 254.40 g/mol. Its IUPAC name is 6-(3-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-(3-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalene
PubChem CID144987176
Molecular FormulaC17H18S
Molecular Weight254.40 g/mol
Exact Mass254.11
IUPAC Name6-(3-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalene
SMILESCc1cccc(Sc2ccc3c(c2)CCCC3)c1
InChIInChI=1S/C17H18S/c1-13-5-4-8-16(11-13)18-17-10-9-14-6-2-3-7-15(14)12-17/h4-5,8-12H,2-3,6-7H2,1H3
InChIKeyPVOQMJWSSJGJEY-UHFFFAOYSA-N
XLogP5.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.40
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

methanamine;3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)phenol
CID 170707186
N-methyl-6-(3-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 172842465
1-methyl-3-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene
CID 143856903
4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)benzonitrile
CID 82123165
3-methyl-7-phenylsulfanyl-1,2,4,5-tetrahydro-3-benzazepine
CID 22368283
1,2-bis[(3-methylphenyl)sulfanyl]benzene
CID 58715664
N-[[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]methyl]ethanamine
CID 63809220
1-[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]ethanone
CID 43330702
6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-methylpyrimidin-4-amine
CID 80893063
1,2-dichlorobenzene;6-methyl-1,2,3,4-tetrahydronaphthalene
CID 143596446
N-methyl-3-(3-methylphenyl)sulfanylaniline
CID 117033152
3-methyl-5-(3-methylphenyl)sulfanylaniline
CID 112648769

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-(3-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalene (CID 144987176) is 6-(3-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-(3-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-(3-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalene is Cc1cccc(Sc2ccc3c(c2)CCCC3)c1.
What is the InChIKey of 6-(3-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is PVOQMJWSSJGJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18S/c1-13-5-4-8-16(11-13)18-17-10-9-14-6-2-3-7-15(14)12-17/h4-5,8-12H,2-3,6-7H2,1H3.
What are the key properties of 6-(3-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalene?
6-(3-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 254.40 g/mol, XLogP of 5.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 144987176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).