1-methylsulfinyl-1-(1-methylsulfinylbutyldisulfanyl)butane

C10H22O2S4 — CID 101497890

IUPAC1-methylsulfinyl-1-(1-methylsulfinylbutyldisulfanyl)butane
SMILESCCCC(SSC(CCC)S(C)=O)S(C)=O
InChIInChI=1S/C10H22O2S4/c1-5-7-9(15(3)11)13-14-10(8-6-2)16(4)12/h9-10H,5-8H2,1-4H3
InChIKeyPOBBZSSRDJJFLW-UHFFFAOYSA-N
MW302.55 g/mol
LogP3.38
Rot. Bonds9

About 1-methylsulfinyl-1-(1-methylsulfinylbutyldisulfanyl)butane

1-methylsulfinyl-1-(1-methylsulfinylbutyldisulfanyl)butane (PubChem CID 101497890) has the molecular formula C10H22O2S4 and a molecular weight of 302.55 g/mol. Its IUPAC name is 1-methylsulfinyl-1-(1-methylsulfinylbutyldisulfanyl)butane.

Molecular Properties

Compound Name1-methylsulfinyl-1-(1-methylsulfinylbutyldisulfanyl)butane
PubChem CID101497890
Molecular FormulaC10H22O2S4
Molecular Weight302.55 g/mol
Exact Mass302.05
IUPAC Name1-methylsulfinyl-1-(1-methylsulfinylbutyldisulfanyl)butane
SMILESCCCC(SSC(CCC)S(C)=O)S(C)=O
InChIInChI=1S/C10H22O2S4/c1-5-7-9(15(3)11)13-14-10(8-6-2)16(4)12/h9-10H,5-8H2,1-4H3
InChIKeyPOBBZSSRDJJFLW-UHFFFAOYSA-N
XLogP3.38
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.55
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-methylsulfinyl-1-(1-methylsulfinylbutyldisulfanyl)butane 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

N-(3-methylsulfinylbutyl)heptan-4-amine
CID 115894411
4-heptan-4-ylsulfinylheptane
CID 90471360
4-(sulfinatoamino)heptane
CID 57467022
N-pentan-2-ylmethanesulfinamide
CID 123141718
3-methylsulfinyloctane
CID 90756685
1-fluorobutane-1-sulfinyl chloride
CID 155434403
3-(sulfonylamino)hexan-1-ol
CID 171478124
2-methylsulfinylheptanal
CID 88829548
1-methylsulfinyl-1-methylsulfonyltridecane
CID 134878680
1-propan-2-ylsulfinyl-N-propylpentan-2-amine
CID 64655390
1-tert-butylsulfinyl-N-propylpentan-2-amine
CID 64652349
N-propyl-1-propylsulfinylpentan-2-amine
CID 64650923

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfinyl-1-(1-methylsulfinylbutyldisulfanyl)butane?
The IUPAC name of 1-methylsulfinyl-1-(1-methylsulfinylbutyldisulfanyl)butane (CID 101497890) is 1-methylsulfinyl-1-(1-methylsulfinylbutyldisulfanyl)butane.
What is the SMILES notation for 1-methylsulfinyl-1-(1-methylsulfinylbutyldisulfanyl)butane?
The canonical SMILES for 1-methylsulfinyl-1-(1-methylsulfinylbutyldisulfanyl)butane is CCCC(SSC(CCC)S(C)=O)S(C)=O.
What is the InChIKey of 1-methylsulfinyl-1-(1-methylsulfinylbutyldisulfanyl)butane?
The InChIKey is POBBZSSRDJJFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2S4/c1-5-7-9(15(3)11)13-14-10(8-6-2)16(4)12/h9-10H,5-8H2,1-4H3.
What are the key properties of 1-methylsulfinyl-1-(1-methylsulfinylbutyldisulfanyl)butane?
1-methylsulfinyl-1-(1-methylsulfinylbutyldisulfanyl)butane has a molecular weight of 302.55 g/mol, XLogP of 3.38, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfinyl-1-(1-methylsulfinylbutyldisulfanyl)butane is sourced from PubChem (CID 101497890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).