(sulfanylcarbonyltrisulfanyl)methanethioic S-acid

C2H2O2S5 — CID 91134648

IUPAC(sulfanylcarbonyltrisulfanyl)methanethioic S-acid
SMILESO=C(S)SSSC(=O)S
InChIInChI=1S/C2H2O2S5/c3-1(5)7-9-8-2(4)6/h(H,3,5)(H,4,6)
InChIKeyDMJTUKQXSPQDPI-UHFFFAOYSA-N
MW218.37 g/mol
LogP3.12
Rot. Bonds2

About (sulfanylcarbonyltrisulfanyl)methanethioic S-acid

(sulfanylcarbonyltrisulfanyl)methanethioic S-acid (PubChem CID 91134648) has the molecular formula C2H2O2S5 and a molecular weight of 218.37 g/mol. Its IUPAC name is (sulfanylcarbonyltrisulfanyl)methanethioic S-acid.

Molecular Properties

Compound Name(sulfanylcarbonyltrisulfanyl)methanethioic S-acid
PubChem CID91134648
Molecular FormulaC2H2O2S5
Molecular Weight218.37 g/mol
Exact Mass217.87
IUPAC Name(sulfanylcarbonyltrisulfanyl)methanethioic S-acid
SMILESO=C(S)SSSC(=O)S
InChIInChI=1S/C2H2O2S5/c3-1(5)7-9-8-2(4)6/h(H,3,5)(H,4,6)
InChIKeyDMJTUKQXSPQDPI-UHFFFAOYSA-N
XLogP3.12
TPSA34.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methylsulfanylmethanethioic S-acid
CID 13063886
carbonodithioic S,S-acid;neodymium
CID 87149190
carbonothioic O,S-acid
CID 173160462
(carboxytetrasulfanyl)formic acid
CID 87491014
hydrazinylsulfanylmethanethioic S-acid
CID 154119373
CID 87646890
CID 87646890
azane;fluoromethanethioic S-acid
CID 175575911
carbamothioic S-acid;hafnium
CID 89401322
ethanethioic S-acid;gadolinium
CID 159325834
bis(carbamothioic S-acid);hydrazine
CID 175156320
azane;carbamothioic S-acid
CID 12743068
2-(disulfanyl)-2-oxoethanethioic S-acid
CID 174358566

Frequently Asked Questions

What is the IUPAC name of (sulfanylcarbonyltrisulfanyl)methanethioic S-acid?
The IUPAC name of (sulfanylcarbonyltrisulfanyl)methanethioic S-acid (CID 91134648) is (sulfanylcarbonyltrisulfanyl)methanethioic S-acid.
What is the SMILES notation for (sulfanylcarbonyltrisulfanyl)methanethioic S-acid?
The canonical SMILES for (sulfanylcarbonyltrisulfanyl)methanethioic S-acid is O=C(S)SSSC(=O)S.
What is the InChIKey of (sulfanylcarbonyltrisulfanyl)methanethioic S-acid?
The InChIKey is DMJTUKQXSPQDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2O2S5/c3-1(5)7-9-8-2(4)6/h(H,3,5)(H,4,6).
What are the key properties of (sulfanylcarbonyltrisulfanyl)methanethioic S-acid?
(sulfanylcarbonyltrisulfanyl)methanethioic S-acid has a molecular weight of 218.37 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (sulfanylcarbonyltrisulfanyl)methanethioic S-acid is sourced from PubChem (CID 91134648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).