2,7-dimethylthianthrene

C14H12S2 — CID 667491

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IUPAC2,7-dimethylthianthrene
SMILESCc1ccc2c(c1)Sc1ccc(C)cc1S2
InChIInChI=1S/C14H12S2/c1-9-3-5-11-13(7-9)15-12-6-4-10(2)8-14(12)16-11/h3-8H,1-2H3
InChIKeyAHXDSVSZEZHDLV-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.92
Rot. Bonds

About 2,7-dimethylthianthrene

2,7-dimethylthianthrene (PubChem CID 667491) has the molecular formula C14H12S2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2,7-dimethylthianthrene.

Molecular Properties

Compound Name2,7-dimethylthianthrene
PubChem CID667491
Molecular FormulaC14H12S2
Molecular Weight244.38 g/mol
Exact Mass244.04
IUPAC Name2,7-dimethylthianthrene
SMILESCc1ccc2c(c1)Sc1ccc(C)cc1S2
InChIInChI=1S/C14H12S2/c1-9-3-5-11-13(7-9)15-12-6-4-10(2)8-14(12)16-11/h3-8H,1-2H3
InChIKeyAHXDSVSZEZHDLV-UHFFFAOYSA-N
XLogP4.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Thioxanthene
CID 67495
Benzene, 1-methyl-4-(phenylthio)-
CID 138011
Benzene, 1-methyl-3-(phenylthio)-
CID 139633
2,8-Dimethylthianthrene
CID 67272
1,2-Dimethylthianthrene
CID 3015465
Di-p-tolyl sulphide
CID 69294
1,2-Bis(p-tolylthio)ethane
CID 220235
Bis(p-tolylthio)methane
CID 504311
1,5-Bis(4-methylphenylthio)pentane
CID 1781786
Benzene, 1,1'-thiobis[3-methyl-
CID 12408998
1-Methyl-4-({[(4-methylphenyl)thio]ethynyl}thio)benzene
CID 345604
(4-Fluorophenyl)(p-tolyl)sulfane
CID 10846482

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethylthianthrene?
The IUPAC name of 2,7-dimethylthianthrene (CID 667491) is 2,7-dimethylthianthrene.
What is the SMILES notation for 2,7-dimethylthianthrene?
The canonical SMILES for 2,7-dimethylthianthrene is Cc1ccc2c(c1)Sc1ccc(C)cc1S2.
What is the InChIKey of 2,7-dimethylthianthrene?
The InChIKey is AHXDSVSZEZHDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12S2/c1-9-3-5-11-13(7-9)15-12-6-4-10(2)8-14(12)16-11/h3-8H,1-2H3.
What are the key properties of 2,7-dimethylthianthrene?
2,7-dimethylthianthrene has a molecular weight of 244.38 g/mol, XLogP of 4.92, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethylthianthrene is sourced from PubChem (CID 667491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).