3-cyclopropylpropanethioic S-acid

C6H10OS — CID 57066246

IUPAC3-cyclopropylpropanethioic S-acid
SMILESO=C(S)CCC1CC1
InChIInChI=1S/C6H10OS/c7-6(8)4-3-5-1-2-5/h5H,1-4H2,(H,7,8)
InChIKeyFAKPEBKQRMQIEA-UHFFFAOYSA-N
MW130.21 g/mol
LogP1.63
Rot. Bonds3

About 3-cyclopropylpropanethioic S-acid

3-cyclopropylpropanethioic S-acid (PubChem CID 57066246) has the molecular formula C6H10OS and a molecular weight of 130.21 g/mol. Its IUPAC name is 3-cyclopropylpropanethioic S-acid.

Molecular Properties

Compound Name3-cyclopropylpropanethioic S-acid
PubChem CID57066246
Molecular FormulaC6H10OS
Molecular Weight130.21 g/mol
Exact Mass130.05
IUPAC Name3-cyclopropylpropanethioic S-acid
SMILESO=C(S)CCC1CC1
InChIInChI=1S/C6H10OS/c7-6(8)4-3-5-1-2-5/h5H,1-4H2,(H,7,8)
InChIKeyFAKPEBKQRMQIEA-UHFFFAOYSA-N
XLogP1.63
TPSA17.07 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(2-carboxyethyl)cyclohexyl]propanoic acid
CID 18679127
3-cyclopropylpropanamide
CID 53414720
cyclopropyl 3-cyclopropylpropanoate
CID 175261469
3-(4-azaniumylcyclohexyl)propanoate
CID 40530841
4-(4-acetylcyclohexyl)butan-2-one
CID 58356027
1-cyclopropyl-4-hydroxy-5,5-dimethylhexan-3-one
CID 103456307
3-cyclopropyl-1-(2,2,3,3-tetramethylcyclopropyl)propan-1-one
CID 114978161
1-cyclopropyl-5-methylsulfanylpentan-3-one
CID 105107955
[bromo(3-cyclopropylpropanoyloxy)indiganyl] 3-cyclopropylpropanoate
CID 144651003
2-aminoethyl 3-cyclopropylpropanoate
CID 174465831
1-cyclopropyl-4-hydroxy-4-methylhexan-3-one
CID 103446812
sodium 3-cyclopentylpropanoate
CID 162201470

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropylpropanethioic S-acid?
The IUPAC name of 3-cyclopropylpropanethioic S-acid (CID 57066246) is 3-cyclopropylpropanethioic S-acid.
What is the SMILES notation for 3-cyclopropylpropanethioic S-acid?
The canonical SMILES for 3-cyclopropylpropanethioic S-acid is O=C(S)CCC1CC1.
What is the InChIKey of 3-cyclopropylpropanethioic S-acid?
The InChIKey is FAKPEBKQRMQIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10OS/c7-6(8)4-3-5-1-2-5/h5H,1-4H2,(H,7,8).
What are the key properties of 3-cyclopropylpropanethioic S-acid?
3-cyclopropylpropanethioic S-acid has a molecular weight of 130.21 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropylpropanethioic S-acid is sourced from PubChem (CID 57066246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).