carbonothioic O,S-acid

C6H12O12S6 — CID 173160462

IUPACcarbonothioic O,S-acid
SMILESO=C(O)S.O=C(O)S.O=C(O)S.O=C(O)S.O=C(O)S.O=C(O)S
InChIInChI=1S/6CH2O2S/c6*2-1(3)4/h6*4H,(H,2,3)
InChIKeyJSFNPTCQZPQFHJ-UHFFFAOYSA-N
MW468.55 g/mol
LogP3.57
Rot. Bonds

About carbonothioic O,S-acid

carbonothioic O,S-acid (PubChem CID 173160462) has the molecular formula C6H12O12S6 and a molecular weight of 468.55 g/mol. Its IUPAC name is carbonothioic O,S-acid.

Molecular Properties

Compound Namecarbonothioic O,S-acid
PubChem CID173160462
Molecular FormulaC6H12O12S6
Molecular Weight468.55 g/mol
Exact Mass467.87
IUPAC Namecarbonothioic O,S-acid
SMILESO=C(O)S.O=C(O)S.O=C(O)S.O=C(O)S.O=C(O)S.O=C(O)S
InChIInChI=1S/6CH2O2S/c6*2-1(3)4/h6*4H,(H,2,3)
InChIKeyJSFNPTCQZPQFHJ-UHFFFAOYSA-N
XLogP3.57
TPSA223.80 Ų
H-Bond Donors12
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.55
LogP ≤ 53.57
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze carbonothioic O,S-acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

carbonothioic O,S-acid;bis(ethane-1,2-diol)
CID 174753400
dipotassium;carbonothioic O,S-acid;sulfite
CID 175302282
carbonothioic O,S-acid;prop-2-enoic acid
CID 87149914
carbonodithioic S,S-acid;neodymium
CID 87149190
CID 148672749
CID 148672749
ethene;2-sulfanylprop-2-enoic acid
CID 159094819
prop-2-enoic acid;sulfanol
CID 159751366
carbamothioic S-acid;hafnium
CID 89401322
azane;fluoromethanethioic S-acid
CID 175575911
CID 87646890
CID 87646890
ethanethioic S-acid;gadolinium
CID 159325834
bis(carbamothioic S-acid);hydrazine
CID 175156320

Frequently Asked Questions

What is the IUPAC name of carbonothioic O,S-acid?
The IUPAC name of carbonothioic O,S-acid (CID 173160462) is carbonothioic O,S-acid.
What is the SMILES notation for carbonothioic O,S-acid?
The canonical SMILES for carbonothioic O,S-acid is O=C(O)S.O=C(O)S.O=C(O)S.O=C(O)S.O=C(O)S.O=C(O)S.
What is the InChIKey of carbonothioic O,S-acid?
The InChIKey is JSFNPTCQZPQFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/6CH2O2S/c6*2-1(3)4/h6*4H,(H,2,3).
What are the key properties of carbonothioic O,S-acid?
carbonothioic O,S-acid has a molecular weight of 468.55 g/mol, XLogP of 3.57, 0 rotatable bonds, 12 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for carbonothioic O,S-acid is sourced from PubChem (CID 173160462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).