2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene;sulfane

C22H20S — CID 155977678

IUPAC2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene;sulfane
SMILESCc1ccc2ccccc2c1-c1c(C)ccc2ccccc12.S
InChIInChI=1S/C22H18.H2S/c1-15-11-13-17-7-3-5-9-19(17)21(15)22-16(2)12-14-18-8-4-6-10-20(18)22;/h3-14H,1-2H3;1H2
InChIKeyKPBYJESVMPHNNJ-UHFFFAOYSA-N
MW316.47 g/mol
LogP6.39
Rot. Bonds1

About 2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene;sulfane

2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene;sulfane (PubChem CID 155977678) has the molecular formula C22H20S and a molecular weight of 316.47 g/mol. Its IUPAC name is 2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene;sulfane.

Molecular Properties

Compound Name2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene;sulfane
PubChem CID155977678
Molecular FormulaC22H20S
Molecular Weight316.47 g/mol
Exact Mass316.13
IUPAC Name2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene;sulfane
SMILESCc1ccc2ccccc2c1-c1c(C)ccc2ccccc12.S
InChIInChI=1S/C22H18.H2S/c1-15-11-13-17-7-3-5-9-19(17)21(15)22-16(2)12-14-18-8-4-6-10-20(18)22;/h3-14H,1-2H3;1H2
InChIKeyKPBYJESVMPHNNJ-UHFFFAOYSA-N
XLogP6.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.47
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(2-methylnaphthalen-1-yl)naphthalen-2-amine
CID 18736750
2-methyl-1-(2-methylphenyl)naphthalene
CID 14204979
1-(2-methylnaphthalen-1-yl)-2-phenylnaphthalene
CID 11739441
2-[1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]ethanamine
CID 101269623
2,3-dimethyl-1-(2-methylnaphthalen-1-yl)-4-(2-methylphenyl)naphthalene
CID 145390572
3-bromo-2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene
CID 174680926
1,10-bis(2-methylnaphthalen-1-yl)anthracene
CID 123816307
[1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane
CID 21335175
2-methyl-1-(2-phenylphenyl)naphthalene
CID 102027516
2-(2-methylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166656403
2-methyl-1-(3-methylnaphthalen-1-yl)naphthalene
CID 15148511
1,2-dimethylnaphthalene;ethane
CID 90922397

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene;sulfane?
The IUPAC name of 2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene;sulfane (CID 155977678) is 2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene;sulfane.
What is the SMILES notation for 2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene;sulfane?
The canonical SMILES for 2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene;sulfane is Cc1ccc2ccccc2c1-c1c(C)ccc2ccccc12.S.
What is the InChIKey of 2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene;sulfane?
The InChIKey is KPBYJESVMPHNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18.H2S/c1-15-11-13-17-7-3-5-9-19(17)21(15)22-16(2)12-14-18-8-4-6-10-20(18)22;/h3-14H,1-2H3;1H2.
What are the key properties of 2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene;sulfane?
2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene;sulfane has a molecular weight of 316.47 g/mol, XLogP of 6.39, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene;sulfane is sourced from PubChem (CID 155977678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).