buta-2,3-diene-1,1,1,2-tetrathiol

C4H6S4 — CID 87473815

IUPACbuta-2,3-diene-1,1,1,2-tetrathiol
SMILESC=C=C(S)C(S)(S)S
InChIInChI=1S/C4H6S4/c1-2-3(5)4(6,7)8/h5-8H,1H2
InChIKeyHDXZOIDXQQMAKI-UHFFFAOYSA-N
MW182.36 g/mol
LogP2.03
Rot. Bonds1

About buta-2,3-diene-1,1,1,2-tetrathiol

buta-2,3-diene-1,1,1,2-tetrathiol (PubChem CID 87473815) has the molecular formula C4H6S4 and a molecular weight of 182.36 g/mol. Its IUPAC name is buta-2,3-diene-1,1,1,2-tetrathiol.

Molecular Properties

Compound Namebuta-2,3-diene-1,1,1,2-tetrathiol
PubChem CID87473815
Molecular FormulaC4H6S4
Molecular Weight182.36 g/mol
Exact Mass181.94
IUPAC Namebuta-2,3-diene-1,1,1,2-tetrathiol
SMILESC=C=C(S)C(S)(S)S
InChIInChI=1S/C4H6S4/c1-2-3(5)4(6,7)8/h5-8H,1H2
InChIKeyHDXZOIDXQQMAKI-UHFFFAOYSA-N
XLogP2.03
TPSA0.00 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.36
LogP ≤ 52.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of buta-2,3-diene-1,1,1,2-tetrathiol?
The IUPAC name of buta-2,3-diene-1,1,1,2-tetrathiol (CID 87473815) is buta-2,3-diene-1,1,1,2-tetrathiol.
What is the SMILES notation for buta-2,3-diene-1,1,1,2-tetrathiol?
The canonical SMILES for buta-2,3-diene-1,1,1,2-tetrathiol is C=C=C(S)C(S)(S)S.
What is the InChIKey of buta-2,3-diene-1,1,1,2-tetrathiol?
The InChIKey is HDXZOIDXQQMAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6S4/c1-2-3(5)4(6,7)8/h5-8H,1H2.
What are the key properties of buta-2,3-diene-1,1,1,2-tetrathiol?
buta-2,3-diene-1,1,1,2-tetrathiol has a molecular weight of 182.36 g/mol, XLogP of 2.03, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for buta-2,3-diene-1,1,1,2-tetrathiol is sourced from PubChem (CID 87473815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).