2-methylprop-2-ene-1-thiol

C4H8S — CID 11051576

IUPAC2-methylprop-2-ene-1-thiol
SMILESC=C(C)CS
InChIInChI=1S/C4H8S/c1-4(2)3-5/h5H,1,3H2,2H3
InChIKeyUFJYVTQALAAQEQ-UHFFFAOYSA-N
MW88.17 g/mol
LogP1.49
Rot. Bonds1

About 2-methylprop-2-ene-1-thiol

2-methylprop-2-ene-1-thiol (PubChem CID 11051576) has the molecular formula C4H8S and a molecular weight of 88.17 g/mol. Its IUPAC name is 2-methylprop-2-ene-1-thiol.

Molecular Properties

Compound Name2-methylprop-2-ene-1-thiol
PubChem CID11051576
Molecular FormulaC4H8S
Molecular Weight88.17 g/mol
Exact Mass88.03
IUPAC Name2-methylprop-2-ene-1-thiol
SMILESC=C(C)CS
InChIInChI=1S/C4H8S/c1-4(2)3-5/h5H,1,3H2,2H3
InChIKeyUFJYVTQALAAQEQ-UHFFFAOYSA-N
XLogP1.49
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.17
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Methyl-2-butene-1-thiol
CID 146586
2-Methyl-1-propenethiol
CID 19883177
bis-[3,3-(2-Methylpropene-1)] disulfide
CID 529081
1-Propene, 2-methyl-1-(methylthio)-
CID 521366
3-Methyl-3-butene-1-thiol
CID 534532
2-(Mercaptomethyl)-3-mercapto-1-propene
CID 15271515
(2E)-2-Methyl-2-butene-1-thiol
CID 5365903
2-Methyl-2-buten-1-thiol
CID 549703
2-Methyl-1-propene-1-thiol
CID 12522204
Bis(2-methylallyl) trisulfide
CID 86104499
(z)-2-Methyl-1-butene-1-thiol
CID 88875129
Ethyl 2-methyl-1-propenyl sulfide
CID 520320

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-ene-1-thiol?
The IUPAC name of 2-methylprop-2-ene-1-thiol (CID 11051576) is 2-methylprop-2-ene-1-thiol.
What is the SMILES notation for 2-methylprop-2-ene-1-thiol?
The canonical SMILES for 2-methylprop-2-ene-1-thiol is C=C(C)CS.
What is the InChIKey of 2-methylprop-2-ene-1-thiol?
The InChIKey is UFJYVTQALAAQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8S/c1-4(2)3-5/h5H,1,3H2,2H3.
What are the key properties of 2-methylprop-2-ene-1-thiol?
2-methylprop-2-ene-1-thiol has a molecular weight of 88.17 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-ene-1-thiol is sourced from PubChem (CID 11051576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).