1-methyl-3-methylsulfanylbenzene

C8H10S — CID 21005

IUPAC1-methyl-3-methylsulfanylbenzene
SMILESCSc1cccc(C)c1
InChIInChI=1S/C8H10S/c1-7-4-3-5-8(6-7)9-2/h3-6H,1-2H3
InChIKeyHCQVSQDSAZSABA-UHFFFAOYSA-N
MW138.23 g/mol
LogP2.72
Rot. Bonds1

About 1-methyl-3-methylsulfanylbenzene

1-methyl-3-methylsulfanylbenzene (PubChem CID 21005) has the molecular formula C8H10S and a molecular weight of 138.23 g/mol. Its IUPAC name is 1-methyl-3-methylsulfanylbenzene.

Molecular Properties

Compound Name1-methyl-3-methylsulfanylbenzene
PubChem CID21005
Molecular FormulaC8H10S
Molecular Weight138.23 g/mol
Exact Mass138.05
IUPAC Name1-methyl-3-methylsulfanylbenzene
SMILESCSc1cccc(C)c1
InChIInChI=1S/C8H10S/c1-7-4-3-5-8(6-7)9-2/h3-6H,1-2H3
InChIKeyHCQVSQDSAZSABA-UHFFFAOYSA-N
XLogP2.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.23
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-methyl-3-methylsulfanylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Thiocresol
CID 7930
Benzyl methyl sulfide
CID 13016
2,5-Xylenethiol
CID 77615
Benzene, 1-methyl-4-(methylthio)-
CID 69334
Benzyl phenyl sulfide
CID 13255
p-Tolyl methyl sulfone
CID 18521
Methyl 4-methylphenylsulfoxide
CID 136743
4,4'-Bis-methylsulfanyl-biphenyl
CID 618859
Mecaptid
CID 168679
Phenethyl phenyl sulfide
CID 139634
Phenyl 3-phenylpropyl sulphide
CID 141544
S-(4-Methylphenyl) ethanethioate
CID 82629

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-methylsulfanylbenzene?
The IUPAC name of 1-methyl-3-methylsulfanylbenzene (CID 21005) is 1-methyl-3-methylsulfanylbenzene.
What is the SMILES notation for 1-methyl-3-methylsulfanylbenzene?
The canonical SMILES for 1-methyl-3-methylsulfanylbenzene is CSc1cccc(C)c1.
What is the InChIKey of 1-methyl-3-methylsulfanylbenzene?
The InChIKey is HCQVSQDSAZSABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10S/c1-7-4-3-5-8(6-7)9-2/h3-6H,1-2H3.
What are the key properties of 1-methyl-3-methylsulfanylbenzene?
1-methyl-3-methylsulfanylbenzene has a molecular weight of 138.23 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-methylsulfanylbenzene is sourced from PubChem (CID 21005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).