1-(disulfanyl)propan-2-yl 2-methylprop-2-enoate

C7H12O2S2 — CID 174221047

IUPAC1-(disulfanyl)propan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)CSS
InChIInChI=1S/C7H12O2S2/c1-5(2)7(8)9-6(3)4-11-10/h6,10H,1,4H2,2-3H3
InChIKeyRVFWINAHNNDBIL-UHFFFAOYSA-N
MW192.30 g/mol
LogP2.07
Rot. Bonds4

About 1-(disulfanyl)propan-2-yl 2-methylprop-2-enoate

1-(disulfanyl)propan-2-yl 2-methylprop-2-enoate (PubChem CID 174221047) has the molecular formula C7H12O2S2 and a molecular weight of 192.30 g/mol. Its IUPAC name is 1-(disulfanyl)propan-2-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-(disulfanyl)propan-2-yl 2-methylprop-2-enoate
PubChem CID174221047
Molecular FormulaC7H12O2S2
Molecular Weight192.30 g/mol
Exact Mass192.03
IUPAC Name1-(disulfanyl)propan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)CSS
InChIInChI=1S/C7H12O2S2/c1-5(2)7(8)9-6(3)4-11-10/h6,10H,1,4H2,2-3H3
InChIKeyRVFWINAHNNDBIL-UHFFFAOYSA-N
XLogP2.07
TPSA26.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2S,4S)-4-(2-methylprop-2-enoyloxy)pentan-2-yl] 2-methylprop-2-enoate
CID 101184166
2-(2-methylprop-2-enoyloxy)propoxyazanium chloride
CID 19386098
trihydroxy-[2-(2-methylprop-2-enoyloxy)propyl]phosphanium
CID 154142538
1-[2-(2-methylprop-2-enoyloxy)propoxyperoxy]propan-2-yl 2-methylprop-2-enoate
CID 90187084
propan-2-yl 2-methylprop-2-enoate
CID 146421311
dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]sulfanium chloride
CID 22062629
[(2R,3R)-3-(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate
CID 91001649
1-[1-[2-[2-(2-methylprop-2-enoyloxy)propoxy]propoxy]propan-2-yloxy]propan-2-yl 2-methylprop-2-enoate
CID 56999639
2-(2-methylprop-2-enoyloxy)propylphosphonic acid
CID 19789204
1-[bis[2-(2-methylprop-2-enoyloxy)propoxy]phosphanyloxy]propan-2-yl 2-methylprop-2-enoate
CID 139653960
3-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
CID 22641153
trimethoxy-[1-(2-methylprop-2-enoyloxy)ethyl]azanium chloride
CID 175093627

Frequently Asked Questions

What is the IUPAC name of 1-(disulfanyl)propan-2-yl 2-methylprop-2-enoate?
The IUPAC name of 1-(disulfanyl)propan-2-yl 2-methylprop-2-enoate (CID 174221047) is 1-(disulfanyl)propan-2-yl 2-methylprop-2-enoate.
What is the SMILES notation for 1-(disulfanyl)propan-2-yl 2-methylprop-2-enoate?
The canonical SMILES for 1-(disulfanyl)propan-2-yl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)CSS.
What is the InChIKey of 1-(disulfanyl)propan-2-yl 2-methylprop-2-enoate?
The InChIKey is RVFWINAHNNDBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2S2/c1-5(2)7(8)9-6(3)4-11-10/h6,10H,1,4H2,2-3H3.
What are the key properties of 1-(disulfanyl)propan-2-yl 2-methylprop-2-enoate?
1-(disulfanyl)propan-2-yl 2-methylprop-2-enoate has a molecular weight of 192.30 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(disulfanyl)propan-2-yl 2-methylprop-2-enoate is sourced from PubChem (CID 174221047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).