1-ethyl-3-methylsulfanylbenzene

C9H12S — CID 14944133

IUPAC1-ethyl-3-methylsulfanylbenzene
SMILESCCc1cccc(SC)c1
InChIInChI=1S/C9H12S/c1-3-8-5-4-6-9(7-8)10-2/h4-7H,3H2,1-2H3
InChIKeyDSDAKTYVXFUEEM-UHFFFAOYSA-N
MW152.26 g/mol
LogP2.97
Rot. Bonds2

About 1-ethyl-3-methylsulfanylbenzene

1-ethyl-3-methylsulfanylbenzene (PubChem CID 14944133) has the molecular formula C9H12S and a molecular weight of 152.26 g/mol. Its IUPAC name is 1-ethyl-3-methylsulfanylbenzene.

Molecular Properties

Compound Name1-ethyl-3-methylsulfanylbenzene
PubChem CID14944133
Molecular FormulaC9H12S
Molecular Weight152.26 g/mol
Exact Mass152.07
IUPAC Name1-ethyl-3-methylsulfanylbenzene
SMILESCCc1cccc(SC)c1
InChIInChI=1S/C9H12S/c1-3-8-5-4-6-9(7-8)10-2/h4-7H,3H2,1-2H3
InChIKeyDSDAKTYVXFUEEM-UHFFFAOYSA-N
XLogP2.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.26
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-ethyl-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

1-benzyl-3-methylsulfanylbenzene
CID 54461240
1-ethyl-4-(3-methylsulfanylphenyl)benzene
CID 139494448
O-[(3-methylsulfanylphenyl)methyl]hydroxylamine
CID 117276756
1-(3-methylsulfanylphenyl)propan-2-one
CID 53248151
2-(3-methylsulfanylphenyl)acetamide
CID 55254407
3-ethyl-1-[(3-methylsulfanylphenyl)methyl]azetidine
CID 164557618
1-ethyl-4-methylsulfanylbenzene
CID 142218139
(3-methylsulfanylphenyl)methylcarbamic acid
CID 69246192
bis(3-methylsulfanylphenol);zirconium
CID 174409712
1-tert-butyl-3-ethyl-5-methylsulfanylbenzene
CID 166752688
1-fluoro-4-[1-(3-methylsulfanylphenyl)propan-2-yl]benzene
CID 167069074
4-ethyl-N-(3-methylsulfanylphenyl)benzenesulfonamide
CID 7594474

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methylsulfanylbenzene?
The IUPAC name of 1-ethyl-3-methylsulfanylbenzene (CID 14944133) is 1-ethyl-3-methylsulfanylbenzene.
What is the SMILES notation for 1-ethyl-3-methylsulfanylbenzene?
The canonical SMILES for 1-ethyl-3-methylsulfanylbenzene is CCc1cccc(SC)c1.
What is the InChIKey of 1-ethyl-3-methylsulfanylbenzene?
The InChIKey is DSDAKTYVXFUEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12S/c1-3-8-5-4-6-9(7-8)10-2/h4-7H,3H2,1-2H3.
What are the key properties of 1-ethyl-3-methylsulfanylbenzene?
1-ethyl-3-methylsulfanylbenzene has a molecular weight of 152.26 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methylsulfanylbenzene is sourced from PubChem (CID 14944133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).