1,2-dimethyl-4-(methyldisulfanyl)benzene

C9H12S2 — CID 44561280

IUPAC1,2-dimethyl-4-(methyldisulfanyl)benzene
SMILESCSSc1ccc(C)c(C)c1
InChIInChI=1S/C9H12S2/c1-7-4-5-9(11-10-3)6-8(7)2/h4-6H,1-3H3
InChIKeyRDVXQYYDJDMPFX-UHFFFAOYSA-N
MW184.33 g/mol
LogP3.67
Rot. Bonds2

About 1,2-dimethyl-4-(methyldisulfanyl)benzene

1,2-dimethyl-4-(methyldisulfanyl)benzene (PubChem CID 44561280) has the molecular formula C9H12S2 and a molecular weight of 184.33 g/mol. Its IUPAC name is 1,2-dimethyl-4-(methyldisulfanyl)benzene.

Molecular Properties

Compound Name1,2-dimethyl-4-(methyldisulfanyl)benzene
PubChem CID44561280
Molecular FormulaC9H12S2
Molecular Weight184.33 g/mol
Exact Mass184.04
IUPAC Name1,2-dimethyl-4-(methyldisulfanyl)benzene
SMILESCSSc1ccc(C)c(C)c1
InChIInChI=1S/C9H12S2/c1-7-4-5-9(11-10-3)6-8(7)2/h4-6H,1-3H3
InChIKeyRDVXQYYDJDMPFX-UHFFFAOYSA-N
XLogP3.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-(methyldisulfanyl)benzene?
The IUPAC name of 1,2-dimethyl-4-(methyldisulfanyl)benzene (CID 44561280) is 1,2-dimethyl-4-(methyldisulfanyl)benzene.
What is the SMILES notation for 1,2-dimethyl-4-(methyldisulfanyl)benzene?
The canonical SMILES for 1,2-dimethyl-4-(methyldisulfanyl)benzene is CSSc1ccc(C)c(C)c1.
What is the InChIKey of 1,2-dimethyl-4-(methyldisulfanyl)benzene?
The InChIKey is RDVXQYYDJDMPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12S2/c1-7-4-5-9(11-10-3)6-8(7)2/h4-6H,1-3H3.
What are the key properties of 1,2-dimethyl-4-(methyldisulfanyl)benzene?
1,2-dimethyl-4-(methyldisulfanyl)benzene has a molecular weight of 184.33 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-(methyldisulfanyl)benzene is sourced from PubChem (CID 44561280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).