ethane;methylsulfanylmethane;naphthalene

C14H20S — CID 91049231

IUPACethane;methylsulfanylmethane;naphthalene
SMILESCC.CSC.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C2H6S.C2H6/c1-2-6-10-8-4-3-7-9(10)5-1;1-3-2;1-2/h1-8H;1-2H3;1-2H3
InChIKeyBOQICQZJLGXRLE-UHFFFAOYSA-N
MW220.38 g/mol
LogP4.85
Rot. Bonds

About ethane;methylsulfanylmethane;naphthalene

ethane;methylsulfanylmethane;naphthalene (PubChem CID 91049231) has the molecular formula C14H20S and a molecular weight of 220.38 g/mol. Its IUPAC name is ethane;methylsulfanylmethane;naphthalene.

Molecular Properties

Compound Nameethane;methylsulfanylmethane;naphthalene
PubChem CID91049231
Molecular FormulaC14H20S
Molecular Weight220.38 g/mol
Exact Mass220.13
IUPAC Nameethane;methylsulfanylmethane;naphthalene
SMILESCC.CSC.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C2H6S.C2H6/c1-2-6-10-8-4-3-7-9(10)5-1;1-3-2;1-2/h1-8H;1-2H3;1-2H3
InChIKeyBOQICQZJLGXRLE-UHFFFAOYSA-N
XLogP4.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.38
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Naphthalene
CID 931
1-Methylnaphthalene
CID 7002
Tetralin
CID 8404
Acenaphthylene
CID 9161
2-Methylnaphthalene
CID 7055
2,6-Dimethylnaphthalene
CID 11387
1,6-Dimethylnaphthalene
CID 11328
1,4-Dimethylnaphthalene
CID 11304
1,2-Dimethylnaphthalene
CID 11317
2,6-Diisopropylnaphthalene
CID 32241
1,7-Dimethylnaphthalene
CID 11326
2-Isopropylnaphthalene
CID 16238

Frequently Asked Questions

What is the IUPAC name of ethane;methylsulfanylmethane;naphthalene?
The IUPAC name of ethane;methylsulfanylmethane;naphthalene (CID 91049231) is ethane;methylsulfanylmethane;naphthalene.
What is the SMILES notation for ethane;methylsulfanylmethane;naphthalene?
The canonical SMILES for ethane;methylsulfanylmethane;naphthalene is CC.CSC.c1ccc2ccccc2c1.
What is the InChIKey of ethane;methylsulfanylmethane;naphthalene?
The InChIKey is BOQICQZJLGXRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.C2H6S.C2H6/c1-2-6-10-8-4-3-7-9(10)5-1;1-3-2;1-2/h1-8H;1-2H3;1-2H3.
What are the key properties of ethane;methylsulfanylmethane;naphthalene?
ethane;methylsulfanylmethane;naphthalene has a molecular weight of 220.38 g/mol, XLogP of 4.85, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methylsulfanylmethane;naphthalene is sourced from PubChem (CID 91049231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).