butane;methane;O-propyl methylsulfanylmethanethioate

C10H24OS2 — CID 162154177

IUPACbutane;methane;O-propyl methylsulfanylmethanethioate
SMILESC.CCCC.CCCOC(=S)SC
InChIInChI=1S/C5H10OS2.C4H10.CH4/c1-3-4-6-5(7)8-2;1-3-4-2;/h3-4H2,1-2H3;3-4H2,1-2H3;1H4
InChIKeyZLPIXVBMWAVYKE-UHFFFAOYSA-N
MW224.43 g/mol
LogP4.50
Rot. Bonds3

About butane;methane;O-propyl methylsulfanylmethanethioate

butane;methane;O-propyl methylsulfanylmethanethioate (PubChem CID 162154177) has the molecular formula C10H24OS2 and a molecular weight of 224.43 g/mol. Its IUPAC name is butane;methane;O-propyl methylsulfanylmethanethioate.

Molecular Properties

Compound Namebutane;methane;O-propyl methylsulfanylmethanethioate
PubChem CID162154177
Molecular FormulaC10H24OS2
Molecular Weight224.43 g/mol
Exact Mass224.13
IUPAC Namebutane;methane;O-propyl methylsulfanylmethanethioate
SMILESC.CCCC.CCCOC(=S)SC
InChIInChI=1S/C5H10OS2.C4H10.CH4/c1-3-4-6-5(7)8-2;1-3-4-2;/h3-4H2,1-2H3;3-4H2,1-2H3;1H4
InChIKeyZLPIXVBMWAVYKE-UHFFFAOYSA-N
XLogP4.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.43
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Carbonic acid, dithio-, anhydrosulfide, O,O-dibutyl ester
CID 20027
O-Ethyl S-methyl carbonodithioate
CID 234029
O-butyl S-methyl dithiocarbonate
CID 10583165
O-propyl methylsulfanylmethanethioate
CID 10877300
O-[3-(3-methylsulfanylcarbothioyloxypropoxy)propyl] methylsulfanylmethanethioate
CID 134989256
Bis(propoxythiocarbonyl) sulfide
CID 13476976
O-butyl butoxycarbothioylsulfanylmethylsulfanylmethanethioate
CID 14324978
O-[2-(2-propoxyethoxy)ethyl] methylsulfanylmethanethioate
CID 121357552
O-ethyl [butoxy(ethoxycarbothioylsulfanyl)methyl]sulfanylmethanethioate
CID 135347313
1-(Propoxymethylsulfanylmethoxy)propane
CID 151305638
butane;O-propyl methylsulfanylmethanethioate
CID 157322444
Methane;1-(methylsulfanylmethoxy)propane
CID 158472752

Frequently Asked Questions

What is the IUPAC name of butane;methane;O-propyl methylsulfanylmethanethioate?
The IUPAC name of butane;methane;O-propyl methylsulfanylmethanethioate (CID 162154177) is butane;methane;O-propyl methylsulfanylmethanethioate.
What is the SMILES notation for butane;methane;O-propyl methylsulfanylmethanethioate?
The canonical SMILES for butane;methane;O-propyl methylsulfanylmethanethioate is C.CCCC.CCCOC(=S)SC.
What is the InChIKey of butane;methane;O-propyl methylsulfanylmethanethioate?
The InChIKey is ZLPIXVBMWAVYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10OS2.C4H10.CH4/c1-3-4-6-5(7)8-2;1-3-4-2;/h3-4H2,1-2H3;3-4H2,1-2H3;1H4.
What are the key properties of butane;methane;O-propyl methylsulfanylmethanethioate?
butane;methane;O-propyl methylsulfanylmethanethioate has a molecular weight of 224.43 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butane;methane;O-propyl methylsulfanylmethanethioate is sourced from PubChem (CID 162154177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).