1-ethylsulfanyl-1-methoxy-2-methylpropane

C7H16OS — CID 13228615

IUPAC1-ethylsulfanyl-1-methoxy-2-methylpropane
SMILESCCSC(OC)C(C)C
InChIInChI=1S/C7H16OS/c1-5-9-7(8-4)6(2)3/h6-7H,5H2,1-4H3
InChIKeyQYZJWCJMALDDBN-UHFFFAOYSA-N
MW148.27 g/mol
LogP2.37
Rot. Bonds4

About 1-ethylsulfanyl-1-methoxy-2-methylpropane

1-ethylsulfanyl-1-methoxy-2-methylpropane (PubChem CID 13228615) has the molecular formula C7H16OS and a molecular weight of 148.27 g/mol. Its IUPAC name is 1-ethylsulfanyl-1-methoxy-2-methylpropane.

Molecular Properties

Compound Name1-ethylsulfanyl-1-methoxy-2-methylpropane
PubChem CID13228615
Molecular FormulaC7H16OS
Molecular Weight148.27 g/mol
Exact Mass148.09
IUPAC Name1-ethylsulfanyl-1-methoxy-2-methylpropane
SMILESCCSC(OC)C(C)C
InChIInChI=1S/C7H16OS/c1-5-9-7(8-4)6(2)3/h6-7H,5H2,1-4H3
InChIKeyQYZJWCJMALDDBN-UHFFFAOYSA-N
XLogP2.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.27
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-ethylsulfanyl-1-methoxy-2-methylpropane 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

2-(1-Methylethyl)-1,3-oxathiolane
CID 28673
5-Methyl-1,3-oxathiane
CID 544309
1-(Butylsulfanyl)-2-ethoxyethane
CID 20272639
2-(2-Methoxyethylsulfanyl)propane
CID 15084477
Diisobutylxanthate
CID 102014603
O-ethyl isobutyl xanthate
CID 121263301
1,3-Oxathiane, 2,5-dimethyl
CID 529078
1,3-Oxathiane, 2-(1-methylethyl)-
CID 568471
2-Methyl-1-[2-[2-(2-methylpropylsulfanyl)ethoxy]ethylsulfanyl]propane
CID 140903580
1-[1-(2-Methylpropoxy)ethylsulfanyl]butane
CID 102336795
4-Methyl-2-propan-2-yl-1,3-oxathiolane
CID 142260
2-Isopropyl-5-methyl-1,3-oxathiane
CID 544307

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanyl-1-methoxy-2-methylpropane?
The IUPAC name of 1-ethylsulfanyl-1-methoxy-2-methylpropane (CID 13228615) is 1-ethylsulfanyl-1-methoxy-2-methylpropane.
What is the SMILES notation for 1-ethylsulfanyl-1-methoxy-2-methylpropane?
The canonical SMILES for 1-ethylsulfanyl-1-methoxy-2-methylpropane is CCSC(OC)C(C)C.
What is the InChIKey of 1-ethylsulfanyl-1-methoxy-2-methylpropane?
The InChIKey is QYZJWCJMALDDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16OS/c1-5-9-7(8-4)6(2)3/h6-7H,5H2,1-4H3.
What are the key properties of 1-ethylsulfanyl-1-methoxy-2-methylpropane?
1-ethylsulfanyl-1-methoxy-2-methylpropane has a molecular weight of 148.27 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-1-methoxy-2-methylpropane is sourced from PubChem (CID 13228615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).