butane-1,1,2,4-tetrathiol

C4H10S4 — CID 18963173

IUPACbutane-1,1,2,4-tetrathiol
SMILESSCCC(S)C(S)S
InChIInChI=1S/C4H10S4/c5-2-1-3(6)4(7)8/h3-8H,1-2H2
InChIKeyPNGRTBNFGLIPLP-UHFFFAOYSA-N
MW186.39 g/mol
LogP1.79
Rot. Bonds3

About butane-1,1,2,4-tetrathiol

butane-1,1,2,4-tetrathiol (PubChem CID 18963173) has the molecular formula C4H10S4 and a molecular weight of 186.39 g/mol. Its IUPAC name is butane-1,1,2,4-tetrathiol.

Molecular Properties

Compound Namebutane-1,1,2,4-tetrathiol
PubChem CID18963173
Molecular FormulaC4H10S4
Molecular Weight186.39 g/mol
Exact Mass185.97
IUPAC Namebutane-1,1,2,4-tetrathiol
SMILESSCCC(S)C(S)S
InChIInChI=1S/C4H10S4/c5-2-1-3(6)4(7)8/h3-8H,1-2H2
InChIKeyPNGRTBNFGLIPLP-UHFFFAOYSA-N
XLogP1.79
TPSA0.00 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.39
LogP ≤ 51.79
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 butane-1,1,2,4-tetrathiol?
The IUPAC name of butane-1,1,2,4-tetrathiol (CID 18963173) is butane-1,1,2,4-tetrathiol.
What is the SMILES notation for butane-1,1,2,4-tetrathiol?
The canonical SMILES for butane-1,1,2,4-tetrathiol is SCCC(S)C(S)S.
What is the InChIKey of butane-1,1,2,4-tetrathiol?
The InChIKey is PNGRTBNFGLIPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10S4/c5-2-1-3(6)4(7)8/h3-8H,1-2H2.
What are the key properties of butane-1,1,2,4-tetrathiol?
butane-1,1,2,4-tetrathiol has a molecular weight of 186.39 g/mol, XLogP of 1.79, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butane-1,1,2,4-tetrathiol is sourced from PubChem (CID 18963173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).