1-methyl-2,3-diphenylbenzene;sulfane

C19H18S — CID 174862423

IUPAC1-methyl-2,3-diphenylbenzene;sulfane
SMILESCc1cccc(-c2ccccc2)c1-c1ccccc1.S
InChIInChI=1S/C19H16.H2S/c1-15-9-8-14-18(16-10-4-2-5-11-16)19(15)17-12-6-3-7-13-17;/h2-14H,1H3;1H2
InChIKeyMVGDSBMRPAJGPF-UHFFFAOYSA-N
MW278.42 g/mol
LogP5.44
Rot. Bonds2

About 1-methyl-2,3-diphenylbenzene;sulfane

1-methyl-2,3-diphenylbenzene;sulfane (PubChem CID 174862423) has the molecular formula C19H18S and a molecular weight of 278.42 g/mol. Its IUPAC name is 1-methyl-2,3-diphenylbenzene;sulfane.

Molecular Properties

Compound Name1-methyl-2,3-diphenylbenzene;sulfane
PubChem CID174862423
Molecular FormulaC19H18S
Molecular Weight278.42 g/mol
Exact Mass278.11
IUPAC Name1-methyl-2,3-diphenylbenzene;sulfane
SMILESCc1cccc(-c2ccccc2)c1-c1ccccc1.S
InChIInChI=1S/C19H16.H2S/c1-15-9-8-14-18(16-10-4-2-5-11-16)19(15)17-12-6-3-7-13-17;/h2-14H,1H3;1H2
InChIKeyMVGDSBMRPAJGPF-UHFFFAOYSA-N
XLogP5.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.42
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

azane;1-methyl-2,3-diphenylbenzene
CID 175031313
lithium;hydride;1-methyl-2,3-diphenylbenzene
CID 175388205
1-methyl-2-phenyl-3-(3-phenylphenyl)benzene
CID 59171668
1-methyl-4,8-diphenylazulene
CID 86056773
1,2-bis(2-methylphenyl)-3-phenylbenzene
CID 175315364
1,4-dimethyl-2-(2-methylphenyl)-3-phenylbenzene
CID 141155122
2-methyl-6-phenylphenol
CID 12592481
N-(2-methylphenyl)-2,3-diphenylaniline
CID 154510508
1-methyl-2-(2-methylphenyl)-3-(4-methylphenyl)benzene
CID 144785199
1,1'-biphenyl;1,2-dimethyl-3-phenylbenzene
CID 173440409
1,2-dimethyl-3-phenylbenzene;ethane
CID 90738674
1-methyl-2-(4-phenylphenyl)benzene
CID 144588078

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,3-diphenylbenzene;sulfane?
The IUPAC name of 1-methyl-2,3-diphenylbenzene;sulfane (CID 174862423) is 1-methyl-2,3-diphenylbenzene;sulfane.
What is the SMILES notation for 1-methyl-2,3-diphenylbenzene;sulfane?
The canonical SMILES for 1-methyl-2,3-diphenylbenzene;sulfane is Cc1cccc(-c2ccccc2)c1-c1ccccc1.S.
What is the InChIKey of 1-methyl-2,3-diphenylbenzene;sulfane?
The InChIKey is MVGDSBMRPAJGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16.H2S/c1-15-9-8-14-18(16-10-4-2-5-11-16)19(15)17-12-6-3-7-13-17;/h2-14H,1H3;1H2.
What are the key properties of 1-methyl-2,3-diphenylbenzene;sulfane?
1-methyl-2,3-diphenylbenzene;sulfane has a molecular weight of 278.42 g/mol, XLogP of 5.44, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,3-diphenylbenzene;sulfane is sourced from PubChem (CID 174862423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).