dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]sulfanium chloride

C8H15ClO2S — CID 22062629

IUPACdimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]sulfanium chloride
SMILESC=C(C)C(=O)OC(C)[S+](C)C.[Cl-]
InChIInChI=1S/C8H15O2S.ClH/c1-6(2)8(9)10-7(3)11(4)5;/h7H,1H2,2-5H3;1H/q+1;/p-1
InChIKeyQQUUMKJEDZRRSW-UHFFFAOYSA-M
MW210.73 g/mol
LogP-1.67
Rot. Bonds3

About dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]sulfanium chloride

dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]sulfanium chloride (PubChem CID 22062629) has the molecular formula C8H15ClO2S and a molecular weight of 210.73 g/mol. Its IUPAC name is dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]sulfanium chloride.

Molecular Properties

Compound Namedimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]sulfanium chloride
PubChem CID22062629
Molecular FormulaC8H15ClO2S
Molecular Weight210.73 g/mol
Exact Mass210.05
IUPAC Namedimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]sulfanium chloride
SMILESC=C(C)C(=O)OC(C)[S+](C)C.[Cl-]
InChIInChI=1S/C8H15O2S.ClH/c1-6(2)8(9)10-7(3)11(4)5;/h7H,1H2,2-5H3;1H/q+1;/p-1
InChIKeyQQUUMKJEDZRRSW-UHFFFAOYSA-M
XLogP-1.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.73
LogP ≤ 5-1.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl 2-methylprop-2-enoate
CID 146421311
[(2R,3R)-3-(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate
CID 91001649
1-(disulfanyl)propan-2-yl 2-methylprop-2-enoate
CID 174221047
benzene;propan-2-yl 2-methylprop-2-enoate
CID 174524984
1-acetyloxyethyl 2-methylprop-2-enoate
CID 18517368
(1-hydroxy-2-methylpropyl) 2-methylprop-2-enoate
CID 54304297
[(2S,4S)-4-(2-methylprop-2-enoyloxy)pentan-2-yl] 2-methylprop-2-enoate
CID 101184166
trimethoxy-[1-(2-methylprop-2-enoyloxy)ethyl]azanium chloride
CID 175093627
1-O-[2-(2-methylprop-2-enoyloxy)ethyl] 2-O-propan-2-yl oxalate
CID 166723292
butyl 2-methylprop-2-enoate;propan-2-yl 2-methylprop-2-enoate
CID 20503506
diaminomethyl 2-methylprop-2-enoate
CID 18522879
2,2-bis(2-methylprop-2-enoyloxy)acetic acid
CID 56621773

Frequently Asked Questions

What is the IUPAC name of dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]sulfanium chloride?
The IUPAC name of dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]sulfanium chloride (CID 22062629) is dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]sulfanium chloride.
What is the SMILES notation for dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]sulfanium chloride?
The canonical SMILES for dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]sulfanium chloride is C=C(C)C(=O)OC(C)[S+](C)C.[Cl-].
What is the InChIKey of dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]sulfanium chloride?
The InChIKey is QQUUMKJEDZRRSW-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H15O2S.ClH/c1-6(2)8(9)10-7(3)11(4)5;/h7H,1H2,2-5H3;1H/q+1;/p-1.
What are the key properties of dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]sulfanium chloride?
dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]sulfanium chloride has a molecular weight of 210.73 g/mol, XLogP of -1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]sulfanium chloride is sourced from PubChem (CID 22062629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).