sulfanyl hydroxysulfanylformate

CH2O3S2 — CID 139960030

IUPACsulfanyl hydroxysulfanylformate
SMILESO=C(OS)SO
InChIInChI=1S/CH2O3S2/c2-1(4-5)6-3/h3,5H
InChIKeyDAONQDRGQWBUIZ-UHFFFAOYSA-N
MW126.16 g/mol
LogP1.17
Rot. Bonds

About sulfanyl hydroxysulfanylformate

sulfanyl hydroxysulfanylformate (PubChem CID 139960030) has the molecular formula CH2O3S2 and a molecular weight of 126.16 g/mol. Its IUPAC name is sulfanyl hydroxysulfanylformate.

Molecular Properties

Compound Namesulfanyl hydroxysulfanylformate
PubChem CID139960030
Molecular FormulaCH2O3S2
Molecular Weight126.16 g/mol
Exact Mass125.94
IUPAC Namesulfanyl hydroxysulfanylformate
SMILESO=C(OS)SO
InChIInChI=1S/CH2O3S2/c2-1(4-5)6-3/h3,5H
InChIKeyDAONQDRGQWBUIZ-UHFFFAOYSA-N
XLogP1.17
TPSA46.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

bis(sulfanyl) oxalate
CID 87196771
azane;sulfanyl acetate
CID 174466207
acetic acid;sulfanediol
CID 87083890
sulfanyl 2-sulfanylacetate
CID 54111744
bis(sulfanyl) butanedioate;gadolinium
CID 88618460
CID 162323307
CID 162323307
dioxouranium(2+);sulfanediol
CID 175754539
sodium;methanone;sulfanediol
CID 87276429
S-hydroxy 2-chloro-2,2-difluoroethanethioate
CID 142666375
4-oxo-4-sulfanyloxybutanoic acid
CID 3015495
CID 87914499
CID 87914499
bis(carbamothioic S-acid);copper;sulfuric acid
CID 173391644

Frequently Asked Questions

What is the IUPAC name of sulfanyl hydroxysulfanylformate?
The IUPAC name of sulfanyl hydroxysulfanylformate (CID 139960030) is sulfanyl hydroxysulfanylformate.
What is the SMILES notation for sulfanyl hydroxysulfanylformate?
The canonical SMILES for sulfanyl hydroxysulfanylformate is O=C(OS)SO.
What is the InChIKey of sulfanyl hydroxysulfanylformate?
The InChIKey is DAONQDRGQWBUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2O3S2/c2-1(4-5)6-3/h3,5H.
What are the key properties of sulfanyl hydroxysulfanylformate?
sulfanyl hydroxysulfanylformate has a molecular weight of 126.16 g/mol, XLogP of 1.17, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sulfanyl hydroxysulfanylformate is sourced from PubChem (CID 139960030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).