4-phenylsulfanyl-1,2-dihydronaphthalene

C16H14S — CID 11064465

IUPAC4-phenylsulfanyl-1,2-dihydronaphthalene
SMILESC1=C(Sc2ccccc2)c2ccccc2CC1
InChIInChI=1S/C16H14S/c1-2-9-14(10-3-1)17-16-12-6-8-13-7-4-5-11-15(13)16/h1-5,7,9-12H,6,8H2
InChIKeyWSKBUZMXAGCBOA-UHFFFAOYSA-N
MW238.36 g/mol
LogP4.77
Rot. Bonds2

About 4-phenylsulfanyl-1,2-dihydronaphthalene

4-phenylsulfanyl-1,2-dihydronaphthalene (PubChem CID 11064465) has the molecular formula C16H14S and a molecular weight of 238.36 g/mol. Its IUPAC name is 4-phenylsulfanyl-1,2-dihydronaphthalene.

Molecular Properties

Compound Name4-phenylsulfanyl-1,2-dihydronaphthalene
PubChem CID11064465
Molecular FormulaC16H14S
Molecular Weight238.36 g/mol
Exact Mass238.08
IUPAC Name4-phenylsulfanyl-1,2-dihydronaphthalene
SMILESC1=C(Sc2ccccc2)c2ccccc2CC1
InChIInChI=1S/C16H14S/c1-2-9-14(10-3-1)17-16-12-6-8-13-7-4-5-11-15(13)16/h1-5,7,9-12H,6,8H2
InChIKeyWSKBUZMXAGCBOA-UHFFFAOYSA-N
XLogP4.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 13029193
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ethane;4-methyl-1,2-dihydronaphthalene
CID 91604572
benzene;N-(3,4-dihydronaphthalen-1-yl)acetamide
CID 159354733
ethane;(6-phenylsulfanyl-3,4-dihydronaphthalen-1-yl)methanamine
CID 91277980
4-(fluoromethyl)-1,2-dihydronaphthalene
CID 70203270
bis(3,4-dihydronaphthalen-1-yl)methanone
CID 174839163
N-(3,4-dihydronaphthalen-1-yl)acetamide
CID 10176439
3,4-dihydronaphthalen-1-ylurea
CID 142857386
9,10-dihydrophenanthrene;methane
CID 174728506
tetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,16,18-nonaene
CID 12568460
fluoromethane;N-methyl-3,4-dihydronaphthalen-1-amine
CID 144557544

Frequently Asked Questions

What is the IUPAC name of 4-phenylsulfanyl-1,2-dihydronaphthalene?
The IUPAC name of 4-phenylsulfanyl-1,2-dihydronaphthalene (CID 11064465) is 4-phenylsulfanyl-1,2-dihydronaphthalene.
What is the SMILES notation for 4-phenylsulfanyl-1,2-dihydronaphthalene?
The canonical SMILES for 4-phenylsulfanyl-1,2-dihydronaphthalene is C1=C(Sc2ccccc2)c2ccccc2CC1.
What is the InChIKey of 4-phenylsulfanyl-1,2-dihydronaphthalene?
The InChIKey is WSKBUZMXAGCBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14S/c1-2-9-14(10-3-1)17-16-12-6-8-13-7-4-5-11-15(13)16/h1-5,7,9-12H,6,8H2.
What are the key properties of 4-phenylsulfanyl-1,2-dihydronaphthalene?
4-phenylsulfanyl-1,2-dihydronaphthalene has a molecular weight of 238.36 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylsulfanyl-1,2-dihydronaphthalene is sourced from PubChem (CID 11064465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).