1-hydroxysulfanylethyl 2-methylprop-2-enoate

C6H10O3S — CID 23363156

IUPAC1-hydroxysulfanylethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)SO
InChIInChI=1S/C6H10O3S/c1-4(2)6(7)9-5(3)10-8/h5,8H,1H2,2-3H3
InChIKeyGJFREHOAOBNRIL-UHFFFAOYSA-N
MW162.21 g/mol
LogP1.66
Rot. Bonds3

About 1-hydroxysulfanylethyl 2-methylprop-2-enoate

1-hydroxysulfanylethyl 2-methylprop-2-enoate (PubChem CID 23363156) has the molecular formula C6H10O3S and a molecular weight of 162.21 g/mol. Its IUPAC name is 1-hydroxysulfanylethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-hydroxysulfanylethyl 2-methylprop-2-enoate
PubChem CID23363156
Molecular FormulaC6H10O3S
Molecular Weight162.21 g/mol
Exact Mass162.04
IUPAC Name1-hydroxysulfanylethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)SO
InChIInChI=1S/C6H10O3S/c1-4(2)6(7)9-5(3)10-8/h5,8H,1H2,2-3H3
InChIKeyGJFREHOAOBNRIL-UHFFFAOYSA-N
XLogP1.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[2-[1-(2-methylprop-2-enoyloxy)ethylsulfanyl]ethylsulfanyl]ethyl 2-methylprop-2-enoate
CID 23044369
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-butan-2-ylsulfanylethyl 2-methylprop-2-enoate
CID 175309883
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
1-[(2-methylpropan-2-yl)oxy]ethyl 2-methylprop-2-enoate
CID 22051873
diaminomethyl 2-methylprop-2-enoate
CID 18522879
2,2-bis(2-methylprop-2-enoyloxy)acetic acid
CID 56621773
1-(disulfanyl)propan-2-yl 2-methylprop-2-enoate
CID 174221047

Frequently Asked Questions

What is the IUPAC name of 1-hydroxysulfanylethyl 2-methylprop-2-enoate?
The IUPAC name of 1-hydroxysulfanylethyl 2-methylprop-2-enoate (CID 23363156) is 1-hydroxysulfanylethyl 2-methylprop-2-enoate.
What is the SMILES notation for 1-hydroxysulfanylethyl 2-methylprop-2-enoate?
The canonical SMILES for 1-hydroxysulfanylethyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)SO.
What is the InChIKey of 1-hydroxysulfanylethyl 2-methylprop-2-enoate?
The InChIKey is GJFREHOAOBNRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3S/c1-4(2)6(7)9-5(3)10-8/h5,8H,1H2,2-3H3.
What are the key properties of 1-hydroxysulfanylethyl 2-methylprop-2-enoate?
1-hydroxysulfanylethyl 2-methylprop-2-enoate has a molecular weight of 162.21 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxysulfanylethyl 2-methylprop-2-enoate is sourced from PubChem (CID 23363156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).