1-methylsulfanyl-4-(methylsulfanylmethyl)benzene

C9H12S2 — CID 66920637

IUPAC1-methylsulfanyl-4-(methylsulfanylmethyl)benzene
SMILESCSCc1ccc(SC)cc1
InChIInChI=1S/C9H12S2/c1-10-7-8-3-5-9(11-2)6-4-8/h3-6H,7H2,1-2H3
InChIKeyGPHHGTBCBWUEJV-UHFFFAOYSA-N
MW184.33 g/mol
LogP3.27
Rot. Bonds3

About 1-methylsulfanyl-4-(methylsulfanylmethyl)benzene

1-methylsulfanyl-4-(methylsulfanylmethyl)benzene (PubChem CID 66920637) has the molecular formula C9H12S2 and a molecular weight of 184.33 g/mol. Its IUPAC name is 1-methylsulfanyl-4-(methylsulfanylmethyl)benzene.

Molecular Properties

Compound Name1-methylsulfanyl-4-(methylsulfanylmethyl)benzene
PubChem CID66920637
Molecular FormulaC9H12S2
Molecular Weight184.33 g/mol
Exact Mass184.04
IUPAC Name1-methylsulfanyl-4-(methylsulfanylmethyl)benzene
SMILESCSCc1ccc(SC)cc1
InChIInChI=1S/C9H12S2/c1-10-7-8-3-5-9(11-2)6-4-8/h3-6H,7H2,1-2H3
InChIKeyGPHHGTBCBWUEJV-UHFFFAOYSA-N
XLogP3.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanyl-4-(methylsulfanylmethyl)benzene?
The IUPAC name of 1-methylsulfanyl-4-(methylsulfanylmethyl)benzene (CID 66920637) is 1-methylsulfanyl-4-(methylsulfanylmethyl)benzene.
What is the SMILES notation for 1-methylsulfanyl-4-(methylsulfanylmethyl)benzene?
The canonical SMILES for 1-methylsulfanyl-4-(methylsulfanylmethyl)benzene is CSCc1ccc(SC)cc1.
What is the InChIKey of 1-methylsulfanyl-4-(methylsulfanylmethyl)benzene?
The InChIKey is GPHHGTBCBWUEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12S2/c1-10-7-8-3-5-9(11-2)6-4-8/h3-6H,7H2,1-2H3.
What are the key properties of 1-methylsulfanyl-4-(methylsulfanylmethyl)benzene?
1-methylsulfanyl-4-(methylsulfanylmethyl)benzene has a molecular weight of 184.33 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanyl-4-(methylsulfanylmethyl)benzene is sourced from PubChem (CID 66920637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).