(cyanodisulfanyl) hydrogen carbonate

C2HNO3S2 — CID 173305786

IUPAC(cyanodisulfanyl) hydrogen carbonate
SMILESN#CSSOC(=O)O
InChIInChI=1S/C2HNO3S2/c3-1-7-8-6-2(4)5/h(H,4,5)
InChIKeyREDCZSNPPLRZTI-UHFFFAOYSA-N
MW151.17 g/mol
LogP1.46
Rot. Bonds2

About (cyanodisulfanyl) hydrogen carbonate

(cyanodisulfanyl) hydrogen carbonate (PubChem CID 173305786) has the molecular formula C2HNO3S2 and a molecular weight of 151.17 g/mol. Its IUPAC name is (cyanodisulfanyl) hydrogen carbonate.

Molecular Properties

Compound Name(cyanodisulfanyl) hydrogen carbonate
PubChem CID173305786
Molecular FormulaC2HNO3S2
Molecular Weight151.17 g/mol
Exact Mass150.94
IUPAC Name(cyanodisulfanyl) hydrogen carbonate
SMILESN#CSSOC(=O)O
InChIInChI=1S/C2HNO3S2/c3-1-7-8-6-2(4)5/h(H,4,5)
InChIKeyREDCZSNPPLRZTI-UHFFFAOYSA-N
XLogP1.46
TPSA70.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Related Compounds

thiocyanatoformic acid
CID 139367397
[(2-methyl-4-oxopentan-3-yl)disulfanyl] hydrogen carbonate
CID 155227481
[(Z)-3-amino-3-oxoprop-1-enyl] thiocyanate
CID 5380389
phenyl (E)-3-thiocyanatoprop-2-enoate
CID 19374705
cyanomethyl hydrogen carbonate
CID 18508970
hydrogen peroxide;hydroperoxy thiocyanate
CID 88608666
2-chloroprop-2-enyl hydrogen carbonate
CID 22386377
carbonocyanidic acid;iron
CID 87844648
potassium;sodium;hydride;thiocyanato thiocyanate
CID 173357519
lanthanum(3+);oxido hydrogen carbonate
CID 54687071
methyl 3-thiocyanatoprop-2-enoate
CID 54493554
2-dithiocyanatooxyboranyloxy-2-oxoacetic acid
CID 175298362

Frequently Asked Questions

What is the IUPAC name of (cyanodisulfanyl) hydrogen carbonate?
The IUPAC name of (cyanodisulfanyl) hydrogen carbonate (CID 173305786) is (cyanodisulfanyl) hydrogen carbonate.
What is the SMILES notation for (cyanodisulfanyl) hydrogen carbonate?
The canonical SMILES for (cyanodisulfanyl) hydrogen carbonate is N#CSSOC(=O)O.
What is the InChIKey of (cyanodisulfanyl) hydrogen carbonate?
The InChIKey is REDCZSNPPLRZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HNO3S2/c3-1-7-8-6-2(4)5/h(H,4,5).
What are the key properties of (cyanodisulfanyl) hydrogen carbonate?
(cyanodisulfanyl) hydrogen carbonate has a molecular weight of 151.17 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (cyanodisulfanyl) hydrogen carbonate is sourced from PubChem (CID 173305786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).