(Z)-2-methylbut-1-ene-1-thiol

C5H10S — CID 88875129

IUPAC(Z)-2-methylbut-1-ene-1-thiol
SMILESCC/C(C)=C\S
InChIInChI=1S/C5H10S/c1-3-5(2)4-6/h4,6H,3H2,1-2H3/b5-4-
InChIKeyJNZXLHOIKNISCY-PLNGDYQASA-N
MW102.20 g/mol
LogP2.23
Rot. Bonds1

About (Z)-2-methylbut-1-ene-1-thiol

(Z)-2-methylbut-1-ene-1-thiol (PubChem CID 88875129) has the molecular formula C5H10S and a molecular weight of 102.20 g/mol. Its IUPAC name is (Z)-2-methylbut-1-ene-1-thiol.

Molecular Properties

Compound Name(Z)-2-methylbut-1-ene-1-thiol
PubChem CID88875129
Molecular FormulaC5H10S
Molecular Weight102.20 g/mol
Exact Mass102.05
IUPAC Name(Z)-2-methylbut-1-ene-1-thiol
SMILESCC/C(C)=C\S
InChIInChI=1S/C5H10S/c1-3-5(2)4-6/h4,6H,3H2,1-2H3/b5-4-
InChIKeyJNZXLHOIKNISCY-PLNGDYQASA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-methylbut-1-ene-1-thiol?
The IUPAC name of (Z)-2-methylbut-1-ene-1-thiol (CID 88875129) is (Z)-2-methylbut-1-ene-1-thiol.
What is the SMILES notation for (Z)-2-methylbut-1-ene-1-thiol?
The canonical SMILES for (Z)-2-methylbut-1-ene-1-thiol is CC/C(C)=C\S.
What is the InChIKey of (Z)-2-methylbut-1-ene-1-thiol?
The InChIKey is JNZXLHOIKNISCY-PLNGDYQASA-N. The full InChI is InChI=1S/C5H10S/c1-3-5(2)4-6/h4,6H,3H2,1-2H3/b5-4-.
What are the key properties of (Z)-2-methylbut-1-ene-1-thiol?
(Z)-2-methylbut-1-ene-1-thiol has a molecular weight of 102.20 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methylbut-1-ene-1-thiol is sourced from PubChem (CID 88875129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).