(Z)-3-cyclohexylsulfanylprop-2-enoic acid

C9H14O2S — CID 67839340

IUPAC(Z)-3-cyclohexylsulfanylprop-2-enoic acid
SMILESO=C(O)/C=C\SC1CCCCC1
InChIInChI=1S/C9H14O2S/c10-9(11)6-7-12-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,10,11)/b7-6-
InChIKeyWUHRPRJUTNWATN-SREVYHEPSA-N
MW186.28 g/mol
LogP2.65
Rot. Bonds3

About (Z)-3-cyclohexylsulfanylprop-2-enoic acid

(Z)-3-cyclohexylsulfanylprop-2-enoic acid (PubChem CID 67839340) has the molecular formula C9H14O2S and a molecular weight of 186.28 g/mol. Its IUPAC name is (Z)-3-cyclohexylsulfanylprop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-cyclohexylsulfanylprop-2-enoic acid
PubChem CID67839340
Molecular FormulaC9H14O2S
Molecular Weight186.28 g/mol
Exact Mass186.07
IUPAC Name(Z)-3-cyclohexylsulfanylprop-2-enoic acid
SMILESO=C(O)/C=C\SC1CCCCC1
InChIInChI=1S/C9H14O2S/c10-9(11)6-7-12-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,10,11)/b7-6-
InChIKeyWUHRPRJUTNWATN-SREVYHEPSA-N
XLogP2.65
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 52.65
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

ethyl (Z)-3-cyclohexylsulfanylprop-2-enoate
CID 46906509
3-(1-bromo-2-cyclohexylethyl)sulfanylprop-2-enoic acid
CID 70513979
cyclohexylsulfanylformic acid
CID 57292109
(E)-but-2-enedioic acid;cyclopentanecarboxylic acid
CID 172845770
2-cyclohexylsulfanyl-2-oxoacetic acid
CID 118565596
3-[4-(cyclohexylsulfanylmethyl)-3-fluorophenyl]prop-2-enoic acid
CID 76996103
2-cycloheptylsulfanylpropanoic acid
CID 82925938
cyclohexanol;oxaldehydic acid
CID 155713163
(Z)-3-cyclobutylprop-2-enoic acid
CID 97289893
acetic acid;cyclohexylcyclohexane
CID 67293698
(E)-3-methylsulfanylprop-2-enoic acid
CID 6441475
ethenylsulfanylcyclopentane
CID 20601505

Frequently Asked Questions

What is the IUPAC name of (Z)-3-cyclohexylsulfanylprop-2-enoic acid?
The IUPAC name of (Z)-3-cyclohexylsulfanylprop-2-enoic acid (CID 67839340) is (Z)-3-cyclohexylsulfanylprop-2-enoic acid.
What is the SMILES notation for (Z)-3-cyclohexylsulfanylprop-2-enoic acid?
The canonical SMILES for (Z)-3-cyclohexylsulfanylprop-2-enoic acid is O=C(O)/C=C\SC1CCCCC1.
What is the InChIKey of (Z)-3-cyclohexylsulfanylprop-2-enoic acid?
The InChIKey is WUHRPRJUTNWATN-SREVYHEPSA-N. The full InChI is InChI=1S/C9H14O2S/c10-9(11)6-7-12-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,10,11)/b7-6-.
What are the key properties of (Z)-3-cyclohexylsulfanylprop-2-enoic acid?
(Z)-3-cyclohexylsulfanylprop-2-enoic acid has a molecular weight of 186.28 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-cyclohexylsulfanylprop-2-enoic acid is sourced from PubChem (CID 67839340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).