4-(methylsulfanylmethyl)decane

C12H26S — CID 167202079

IUPAC4-(methylsulfanylmethyl)decane
SMILESCCCCCCC(CCC)CSC
InChIInChI=1S/C12H26S/c1-4-6-7-8-10-12(9-5-2)11-13-3/h12H,4-11H2,1-3H3
InChIKeyMUFWXBNZFLWQRV-UHFFFAOYSA-N
MW202.41 g/mol
LogP4.74
Rot. Bonds9

About 4-(methylsulfanylmethyl)decane

4-(methylsulfanylmethyl)decane (PubChem CID 167202079) has the molecular formula C12H26S and a molecular weight of 202.41 g/mol. Its IUPAC name is 4-(methylsulfanylmethyl)decane.

Molecular Properties

Compound Name4-(methylsulfanylmethyl)decane
PubChem CID167202079
Molecular FormulaC12H26S
Molecular Weight202.41 g/mol
Exact Mass202.18
IUPAC Name4-(methylsulfanylmethyl)decane
SMILESCCCCCCC(CCC)CSC
InChIInChI=1S/C12H26S/c1-4-6-7-8-10-12(9-5-2)11-13-3/h12H,4-11H2,1-3H3
InChIKeyMUFWXBNZFLWQRV-UHFFFAOYSA-N
XLogP4.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.41
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(methylsulfanylmethyl)octane
CID 154986903
13-propylheptacosane
CID 90872787
13-propylpentacosane
CID 21183364
9-propyltricosane
CID 54290141
16-propylhexatriacontane
CID 91313942
6-propyltetracosane
CID 91039357
15-propylpentatriacontane
CID 91540514
12-propylhenpentacontane
CID 123984579
5-propylpentacosane
CID 91493421
7,9-dipropylhexadecane
CID 91047634
8-heptyl-10-propyloctadecane
CID 90802423
4-ethylnonadecane
CID 22223766

Frequently Asked Questions

What is the IUPAC name of 4-(methylsulfanylmethyl)decane?
The IUPAC name of 4-(methylsulfanylmethyl)decane (CID 167202079) is 4-(methylsulfanylmethyl)decane.
What is the SMILES notation for 4-(methylsulfanylmethyl)decane?
The canonical SMILES for 4-(methylsulfanylmethyl)decane is CCCCCCC(CCC)CSC.
What is the InChIKey of 4-(methylsulfanylmethyl)decane?
The InChIKey is MUFWXBNZFLWQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26S/c1-4-6-7-8-10-12(9-5-2)11-13-3/h12H,4-11H2,1-3H3.
What are the key properties of 4-(methylsulfanylmethyl)decane?
4-(methylsulfanylmethyl)decane has a molecular weight of 202.41 g/mol, XLogP of 4.74, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylsulfanylmethyl)decane is sourced from PubChem (CID 167202079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).