2-methylsulfanylpropane

C4H10S — CID 15246

IUPAC2-methylsulfanylpropane
SMILESCSC(C)C
InChIInChI=1S/C4H10S/c1-4(2)5-3/h4H,1-3H3
InChIKeyROSSIHMZZJOVOU-UHFFFAOYSA-N
MW90.19 g/mol
LogP1.76
Rot. Bonds1

About 2-methylsulfanylpropane

2-methylsulfanylpropane (PubChem CID 15246) has the molecular formula C4H10S and a molecular weight of 90.19 g/mol. Its IUPAC name is 2-methylsulfanylpropane.

Molecular Properties

Compound Name2-methylsulfanylpropane
PubChem CID15246
Molecular FormulaC4H10S
Molecular Weight90.19 g/mol
Exact Mass90.05
IUPAC Name2-methylsulfanylpropane
SMILESCSC(C)C
InChIInChI=1S/C4H10S/c1-4(2)5-3/h4H,1-3H3
InChIKeyROSSIHMZZJOVOU-UHFFFAOYSA-N
XLogP1.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.19
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Ethyl sulfide
CID 9609
Propyl sulfide
CID 8118
Ethyl propyl sulfide
CID 20063
Butyl methyl sulfide
CID 12339
Methyl propyl sulphide
CID 19754
Ethyl methyl sulfide
CID 12230
2,5-Dithiahexane
CID 23110
Diisopropyl sulfide
CID 12264
Butyl ethyl sulfide
CID 12528
Amyl Methyl Sulfide
CID 15620
Ethyl isopropyl sulphide
CID 21228
Isopropyl propyl sulfide
CID 78708

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanylpropane?
The IUPAC name of 2-methylsulfanylpropane (CID 15246) is 2-methylsulfanylpropane.
What is the SMILES notation for 2-methylsulfanylpropane?
The canonical SMILES for 2-methylsulfanylpropane is CSC(C)C.
What is the InChIKey of 2-methylsulfanylpropane?
The InChIKey is ROSSIHMZZJOVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10S/c1-4(2)5-3/h4H,1-3H3.
What are the key properties of 2-methylsulfanylpropane?
2-methylsulfanylpropane has a molecular weight of 90.19 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanylpropane is sourced from PubChem (CID 15246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).