3-sulfanylpropyl 2-methylprop-2-enoate

C7H12O2S — CID 10034892

IUPAC3-sulfanylpropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCS
InChIInChI=1S/C7H12O2S/c1-6(2)7(8)9-4-3-5-10/h10H,1,3-5H2,2H3
InChIKeyQURURPFUWRWGSN-UHFFFAOYSA-N
MW160.24 g/mol
LogP1.43
Rot. Bonds4

About 3-sulfanylpropyl 2-methylprop-2-enoate

3-sulfanylpropyl 2-methylprop-2-enoate (PubChem CID 10034892) has the molecular formula C7H12O2S and a molecular weight of 160.24 g/mol. Its IUPAC name is 3-sulfanylpropyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-sulfanylpropyl 2-methylprop-2-enoate
PubChem CID10034892
Molecular FormulaC7H12O2S
Molecular Weight160.24 g/mol
Exact Mass160.06
IUPAC Name3-sulfanylpropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCS
InChIInChI=1S/C7H12O2S/c1-6(2)7(8)9-4-3-5-10/h10H,1,3-5H2,2H3
InChIKeyQURURPFUWRWGSN-UHFFFAOYSA-N
XLogP1.43
TPSA26.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

sulfane;3-sulfanylpropyl 2-methylprop-2-enoate
CID 175403752
2-(3-sulfanylpropoxy)ethyl 2-methylprop-2-enoate
CID 89112339
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
4-acetyloxybutyl 2-methylprop-2-enoate
CID 21403527
bis(ethane-1,2-diol);4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
CID 88656789
4-[4-[4-(2-methylprop-2-enoyloxy)butoxy]butoxy]butyl 2-methylprop-2-enoate
CID 101360150
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
butyl 2-methylprop-2-enoate;methane
CID 159646333
butyl 2-methylprop-2-enoate;λ2-stannane
CID 173448670
3-(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate;phosphoric acid
CID 87531056
3-[2-[3-(2-methylprop-2-enoyloxy)propoxy]ethoxy]propyl 2-methylprop-2-enoate
CID 87490108

Frequently Asked Questions

What is the IUPAC name of 3-sulfanylpropyl 2-methylprop-2-enoate?
The IUPAC name of 3-sulfanylpropyl 2-methylprop-2-enoate (CID 10034892) is 3-sulfanylpropyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-sulfanylpropyl 2-methylprop-2-enoate?
The canonical SMILES for 3-sulfanylpropyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCS.
What is the InChIKey of 3-sulfanylpropyl 2-methylprop-2-enoate?
The InChIKey is QURURPFUWRWGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2S/c1-6(2)7(8)9-4-3-5-10/h10H,1,3-5H2,2H3.
What are the key properties of 3-sulfanylpropyl 2-methylprop-2-enoate?
3-sulfanylpropyl 2-methylprop-2-enoate has a molecular weight of 160.24 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-sulfanylpropyl 2-methylprop-2-enoate is sourced from PubChem (CID 10034892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).