1-cyclopropylethenethiol

C5H8S — CID 143525795

IUPAC1-cyclopropylethenethiol
SMILESC=C(S)C1CC1
InChIInChI=1S/C5H8S/c1-4(6)5-2-3-5/h5-6H,1-3H2
InChIKeyRXXZLYVECUNNLX-UHFFFAOYSA-N
MW100.19 g/mol
LogP1.84
Rot. Bonds1

About 1-cyclopropylethenethiol

1-cyclopropylethenethiol (PubChem CID 143525795) has the molecular formula C5H8S and a molecular weight of 100.19 g/mol. Its IUPAC name is 1-cyclopropylethenethiol.

Molecular Properties

Compound Name1-cyclopropylethenethiol
PubChem CID143525795
Molecular FormulaC5H8S
Molecular Weight100.19 g/mol
Exact Mass100.03
IUPAC Name1-cyclopropylethenethiol
SMILESC=C(S)C1CC1
InChIInChI=1S/C5H8S/c1-4(6)5-2-3-5/h5-6H,1-3H2
InChIKeyRXXZLYVECUNNLX-UHFFFAOYSA-N
XLogP1.84
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.19
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(1,3-dioxolan-2-yl)ethenethiol
CID 129121379
1-cyclopropylethenyl(trifluoro)boranuide
CID 155291243
4-[1-[1-(4-hydroxycyclohexyl)ethenoxy]ethenyl]cyclohexan-1-ol
CID 67790517
N-methyl-4-(3-methylbut-1-en-2-yl)cyclohexan-1-amine
CID 90730487
[(3Z)-2-methylpenta-1,3-dien-3-yl]cyclopropane
CID 143871656
N-(1-cyclopropylethenoxy)methanimine
CID 146183515
1-(4-bromocyclohexyl)ethenamine
CID 130195147
1-[(1R,3R)-3-(propan-2-ylamino)cyclopentyl]ethenol
CID 58404352
3-cyclopropylbut-3-enal
CID 117269166
4-(1-aminoethenyl)cyclohexane-1-carboxylic acid
CID 134396570
2-methyl-1-[3-(2-methylprop-2-enoyl)cyclopentyl]prop-2-en-1-one
CID 163562388
2-(1-cyclopropylethenyl)-1,1,3,3-tetramethylcyclopentane
CID 154187048

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylethenethiol?
The IUPAC name of 1-cyclopropylethenethiol (CID 143525795) is 1-cyclopropylethenethiol.
What is the SMILES notation for 1-cyclopropylethenethiol?
The canonical SMILES for 1-cyclopropylethenethiol is C=C(S)C1CC1.
What is the InChIKey of 1-cyclopropylethenethiol?
The InChIKey is RXXZLYVECUNNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8S/c1-4(6)5-2-3-5/h5-6H,1-3H2.
What are the key properties of 1-cyclopropylethenethiol?
1-cyclopropylethenethiol has a molecular weight of 100.19 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylethenethiol is sourced from PubChem (CID 143525795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).