(E)-2-methylprop-1-ene-1,3-dithiol

C4H8S2 — CID 87856467

IUPAC(E)-2-methylprop-1-ene-1,3-dithiol
SMILESC/C(=C\S)CS
InChIInChI=1S/C4H8S2/c1-4(2-5)3-6/h2,5-6H,3H2,1H3/b4-2+
InChIKeyABETYKXSVFQTTM-DUXPYHPUSA-N
MW120.24 g/mol
LogP1.75
Rot. Bonds1

About (E)-2-methylprop-1-ene-1,3-dithiol

(E)-2-methylprop-1-ene-1,3-dithiol (PubChem CID 87856467) has the molecular formula C4H8S2 and a molecular weight of 120.24 g/mol. Its IUPAC name is (E)-2-methylprop-1-ene-1,3-dithiol.

Molecular Properties

Compound Name(E)-2-methylprop-1-ene-1,3-dithiol
PubChem CID87856467
Molecular FormulaC4H8S2
Molecular Weight120.24 g/mol
Exact Mass120.01
IUPAC Name(E)-2-methylprop-1-ene-1,3-dithiol
SMILESC/C(=C\S)CS
InChIInChI=1S/C4H8S2/c1-4(2-5)3-6/h2,5-6H,3H2,1H3/b4-2+
InChIKeyABETYKXSVFQTTM-DUXPYHPUSA-N
XLogP1.75
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.24
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (E)-2-methylprop-1-ene-1,3-dithiol?
The IUPAC name of (E)-2-methylprop-1-ene-1,3-dithiol (CID 87856467) is (E)-2-methylprop-1-ene-1,3-dithiol.
What is the SMILES notation for (E)-2-methylprop-1-ene-1,3-dithiol?
The canonical SMILES for (E)-2-methylprop-1-ene-1,3-dithiol is C/C(=C\S)CS.
What is the InChIKey of (E)-2-methylprop-1-ene-1,3-dithiol?
The InChIKey is ABETYKXSVFQTTM-DUXPYHPUSA-N. The full InChI is InChI=1S/C4H8S2/c1-4(2-5)3-6/h2,5-6H,3H2,1H3/b4-2+.
What are the key properties of (E)-2-methylprop-1-ene-1,3-dithiol?
(E)-2-methylprop-1-ene-1,3-dithiol has a molecular weight of 120.24 g/mol, XLogP of 1.75, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methylprop-1-ene-1,3-dithiol is sourced from PubChem (CID 87856467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).