2-methylbut-2-ene-1-thiol

C5H10S — CID 549703

IUPAC2-methylbut-2-ene-1-thiol
SMILESCC=C(C)CS
InChIInChI=1S/C5H10S/c1-3-5(2)4-6/h3,6H,4H2,1-2H3
InChIKeyZKDRFRZNMQYWPD-UHFFFAOYSA-N
MW102.20 g/mol
LogP1.88
Rot. Bonds1

About 2-methylbut-2-ene-1-thiol

2-methylbut-2-ene-1-thiol (PubChem CID 549703) has the molecular formula C5H10S and a molecular weight of 102.20 g/mol. Its IUPAC name is 2-methylbut-2-ene-1-thiol.

Molecular Properties

Compound Name2-methylbut-2-ene-1-thiol
PubChem CID549703
Molecular FormulaC5H10S
Molecular Weight102.20 g/mol
Exact Mass102.05
IUPAC Name2-methylbut-2-ene-1-thiol
SMILESCC=C(C)CS
InChIInChI=1S/C5H10S/c1-3-5(2)4-6/h3,6H,4H2,1-2H3
InChIKeyZKDRFRZNMQYWPD-UHFFFAOYSA-N
XLogP1.88
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.20
LogP ≤ 51.88
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
1-(Methylthio)-3-methyl-2-butene
CID 12384916
(E)-2-Butene-1-thiol
CID 6433451
But-2-enethiol
CID 22238
cis-2-Butenethiol
CID 101400777
Methyl isopentenyl disulfide
CID 91750744
Methallyl mercaptan
CID 11051576
(2E)-2-Methyl-2-butene-1-thiol
CID 5365903
2-Methyl-1-propene-1-thiol
CID 12522204
2-Methylthio-crotonaldehyde
CID 15758162
4-Methylpent-3-ene-1-thiol
CID 19843672
(E)-3-methylpent-2-ene-1-thiol
CID 163201211

Frequently Asked Questions

What is the IUPAC name of 2-methylbut-2-ene-1-thiol?
The IUPAC name of 2-methylbut-2-ene-1-thiol (CID 549703) is 2-methylbut-2-ene-1-thiol.
What is the SMILES notation for 2-methylbut-2-ene-1-thiol?
The canonical SMILES for 2-methylbut-2-ene-1-thiol is CC=C(C)CS.
What is the InChIKey of 2-methylbut-2-ene-1-thiol?
The InChIKey is ZKDRFRZNMQYWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10S/c1-3-5(2)4-6/h3,6H,4H2,1-2H3.
What are the key properties of 2-methylbut-2-ene-1-thiol?
2-methylbut-2-ene-1-thiol has a molecular weight of 102.20 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbut-2-ene-1-thiol is sourced from PubChem (CID 549703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).