3-methylsulfanyl-1-propoxyprop-1-ene

C7H14OS — CID 123221448

IUPAC3-methylsulfanyl-1-propoxyprop-1-ene
SMILESCCCOC=CCSC
InChIInChI=1S/C7H14OS/c1-3-5-8-6-4-7-9-2/h4,6H,3,5,7H2,1-2H3
InChIKeyRGQZMHOIFVSMAH-UHFFFAOYSA-N
MW146.25 g/mol
LogP2.29
Rot. Bonds5

About 3-methylsulfanyl-1-propoxyprop-1-ene

3-methylsulfanyl-1-propoxyprop-1-ene (PubChem CID 123221448) has the molecular formula C7H14OS and a molecular weight of 146.25 g/mol. Its IUPAC name is 3-methylsulfanyl-1-propoxyprop-1-ene.

Molecular Properties

Compound Name3-methylsulfanyl-1-propoxyprop-1-ene
PubChem CID123221448
Molecular FormulaC7H14OS
Molecular Weight146.25 g/mol
Exact Mass146.08
IUPAC Name3-methylsulfanyl-1-propoxyprop-1-ene
SMILESCCCOC=CCSC
InChIInChI=1S/C7H14OS/c1-3-5-8-6-4-7-9-2/h4,6H,3,5,7H2,1-2H3
InChIKeyRGQZMHOIFVSMAH-UHFFFAOYSA-N
XLogP2.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.25
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

o-Ethyl s-prop-2-en-1-yl carbonodithioate
CID 234030
5-Methyl-2,3-dihydro-1,4-oxathiine
CID 12602857
4H-1,3-Oxathiin
CID 19991511
(1E,3Z)-1-methoxy-4-methylsulfanylbuta-1,3-diene
CID 102331103
Ethoxyvinylthiirane
CID 129793083
(Z)-1-ethoxy-1-ethylsulfanylprop-1-ene
CID 134987287
3-(2-Ethenoxyethylsulfanyl)prop-1-ene
CID 18539675
5H-1,4-oxathiepine
CID 20471274
3-Ethyl-1,4-oxathiine
CID 57188038
2-(Prop-1-enoxymethyl)thiirane
CID 57240713
3-Methyl-1,4-oxathiine
CID 57276530
(2Z)-2-ethylidene-1,3-oxathiolane
CID 57901503

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-1-propoxyprop-1-ene?
The IUPAC name of 3-methylsulfanyl-1-propoxyprop-1-ene (CID 123221448) is 3-methylsulfanyl-1-propoxyprop-1-ene.
What is the SMILES notation for 3-methylsulfanyl-1-propoxyprop-1-ene?
The canonical SMILES for 3-methylsulfanyl-1-propoxyprop-1-ene is CCCOC=CCSC.
What is the InChIKey of 3-methylsulfanyl-1-propoxyprop-1-ene?
The InChIKey is RGQZMHOIFVSMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14OS/c1-3-5-8-6-4-7-9-2/h4,6H,3,5,7H2,1-2H3.
What are the key properties of 3-methylsulfanyl-1-propoxyprop-1-ene?
3-methylsulfanyl-1-propoxyprop-1-ene has a molecular weight of 146.25 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-1-propoxyprop-1-ene is sourced from PubChem (CID 123221448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).