(Z)-2-methyl-3-methylsulfanylprop-2-enoic acid

C5H8O2S — CID 23365065

IUPAC(Z)-2-methyl-3-methylsulfanylprop-2-enoic acid
SMILESCS/C=C(/C)C(=O)O
InChIInChI=1S/C5H8O2S/c1-4(3-8-2)5(6)7/h3H,1-2H3,(H,6,7)/b4-3-
InChIKeyMTTSFUJKVLAKLO-ARJAWSKDSA-N
MW132.18 g/mol
LogP1.34
Rot. Bonds2

About (Z)-2-methyl-3-methylsulfanylprop-2-enoic acid

(Z)-2-methyl-3-methylsulfanylprop-2-enoic acid (PubChem CID 23365065) has the molecular formula C5H8O2S and a molecular weight of 132.18 g/mol. Its IUPAC name is (Z)-2-methyl-3-methylsulfanylprop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-methyl-3-methylsulfanylprop-2-enoic acid
PubChem CID23365065
Molecular FormulaC5H8O2S
Molecular Weight132.18 g/mol
Exact Mass132.02
IUPAC Name(Z)-2-methyl-3-methylsulfanylprop-2-enoic acid
SMILESCS/C=C(/C)C(=O)O
InChIInChI=1S/C5H8O2S/c1-4(3-8-2)5(6)7/h3H,1-2H3,(H,6,7)/b4-3-
InChIKeyMTTSFUJKVLAKLO-ARJAWSKDSA-N
XLogP1.34
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-carboxyprop-1-enylsulfanyl)-2-methylprop-2-enoic acid
CID 54108526
2-methylbut-2-enoic acid;yttrium
CID 76824008
(E)-2-methylbut-2-enoic acid;hydrochloride
CID 87583281
acetic acid;(E)-2-methylbut-2-enoic acid
CID 88739712
2-methylbut-2-enoic acid;silane
CID 173038853
(2E)-2,5-dimethylhexa-2,4-dienoic acid
CID 18632121
3-(4-chlorophenyl)sulfanyl-2-methylprop-2-enoic acid
CID 67544377
2-methyl-4-propan-2-ylsulfanylbut-2-enoic acid
CID 77074797
bis((E)-2-methylbut-2-enedioic acid);zirconium
CID 146019810
N,N-dimethylmethanamine;(E)-2-methylbut-2-enoic acid
CID 173038911
methane;2-methyl-3-silylprop-2-enoic acid
CID 173490193
5-hydroxy-2,4-dimethylhex-2-enoic acid
CID 54037890

Frequently Asked Questions

What is the IUPAC name of (Z)-2-methyl-3-methylsulfanylprop-2-enoic acid?
The IUPAC name of (Z)-2-methyl-3-methylsulfanylprop-2-enoic acid (CID 23365065) is (Z)-2-methyl-3-methylsulfanylprop-2-enoic acid.
What is the SMILES notation for (Z)-2-methyl-3-methylsulfanylprop-2-enoic acid?
The canonical SMILES for (Z)-2-methyl-3-methylsulfanylprop-2-enoic acid is CS/C=C(/C)C(=O)O.
What is the InChIKey of (Z)-2-methyl-3-methylsulfanylprop-2-enoic acid?
The InChIKey is MTTSFUJKVLAKLO-ARJAWSKDSA-N. The full InChI is InChI=1S/C5H8O2S/c1-4(3-8-2)5(6)7/h3H,1-2H3,(H,6,7)/b4-3-.
What are the key properties of (Z)-2-methyl-3-methylsulfanylprop-2-enoic acid?
(Z)-2-methyl-3-methylsulfanylprop-2-enoic acid has a molecular weight of 132.18 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methyl-3-methylsulfanylprop-2-enoic acid is sourced from PubChem (CID 23365065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).