O-prop-2-enyl ethylsulfanylmethanethioate

C6H10OS2 — CID 14324991

IUPACO-prop-2-enyl ethylsulfanylmethanethioate
SMILESC=CCOC(=S)SCC
InChIInChI=1S/C6H10OS2/c1-3-5-7-6(8)9-4-2/h3H,1,4-5H2,2H3
InChIKeyBXBFHQJBTJSJEO-UHFFFAOYSA-N
MW162.28 g/mol
LogP2.23
Rot. Bonds3

About O-prop-2-enyl ethylsulfanylmethanethioate

O-prop-2-enyl ethylsulfanylmethanethioate (PubChem CID 14324991) has the molecular formula C6H10OS2 and a molecular weight of 162.28 g/mol. Its IUPAC name is O-prop-2-enyl ethylsulfanylmethanethioate.

Molecular Properties

Compound NameO-prop-2-enyl ethylsulfanylmethanethioate
PubChem CID14324991
Molecular FormulaC6H10OS2
Molecular Weight162.28 g/mol
Exact Mass162.02
IUPAC NameO-prop-2-enyl ethylsulfanylmethanethioate
SMILESC=CCOC(=S)SCC
InChIInChI=1S/C6H10OS2/c1-3-5-7-6(8)9-4-2/h3H,1,4-5H2,2H3
InChIKeyBXBFHQJBTJSJEO-UHFFFAOYSA-N
XLogP2.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

o-Ethyl s-prop-2-en-1-yl carbonodithioate
CID 234030
1,4-Oxathiacyclohept-5-ene
CID 12602855
O-prop-2-enyl methylsulfanylmethanethioate
CID 13928464
S-Butylxanthic acid, O-Allyl ester
CID 13277707
Carbonodithioic acid, O-butyl S-2-propenyl ester
CID 44150091
O-prop-2-enyl prop-2-enylsulfanylmethanethioate
CID 88030236
O-crotyl S-methyl dithiocarbonate
CID 129690916
2-Propenyl 2,3-bis-(methylthio)propyl ether
CID 524110
1-Methoxy-4-(methylthio)but-2-ene
CID 5367859
O-propan-2-yl prop-2-enylsulfanylmethanethioate
CID 14324988
3-Methoxy-3-methylsulfanylprop-1-ene
CID 18720097
3-ethoxy-3H-dithiole
CID 19867106

Frequently Asked Questions

What is the IUPAC name of O-prop-2-enyl ethylsulfanylmethanethioate?
The IUPAC name of O-prop-2-enyl ethylsulfanylmethanethioate (CID 14324991) is O-prop-2-enyl ethylsulfanylmethanethioate.
What is the SMILES notation for O-prop-2-enyl ethylsulfanylmethanethioate?
The canonical SMILES for O-prop-2-enyl ethylsulfanylmethanethioate is C=CCOC(=S)SCC.
What is the InChIKey of O-prop-2-enyl ethylsulfanylmethanethioate?
The InChIKey is BXBFHQJBTJSJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10OS2/c1-3-5-7-6(8)9-4-2/h3H,1,4-5H2,2H3.
What are the key properties of O-prop-2-enyl ethylsulfanylmethanethioate?
O-prop-2-enyl ethylsulfanylmethanethioate has a molecular weight of 162.28 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-prop-2-enyl ethylsulfanylmethanethioate is sourced from PubChem (CID 14324991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).