CID 87964980

C2H6NaO3S2 — CID 87964980

IUPAC—
SMILESCCOS(=O)(O)=S.[Na]
InChIInChI=1S/C2H6O3S2.Na/c1-2-5-7(3,4)6;/h2H2,1H3,(H,3,4,6);
InChIKeyCSRJDATWBWTREB-UHFFFAOYSA-N
MW165.19 g/mol
LogP-0.22
Rot. Bonds2

About CID 87964980

CID 87964980 (PubChem CID 87964980) has the molecular formula C2H6NaO3S2 and a molecular weight of 165.19 g/mol.

Molecular Properties

Compound NameCID 87964980
PubChem CID87964980
Molecular FormulaC2H6NaO3S2
Molecular Weight165.19 g/mol
Exact Mass164.97
IUPAC Name—
SMILESCCOS(=O)(O)=S.[Na]
InChIInChI=1S/C2H6O3S2.Na/c1-2-5-7(3,4)6;/h2H2,1H3,(H,3,4,6);
InChIKeyCSRJDATWBWTREB-UHFFFAOYSA-N
XLogP-0.22
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethoxy-hydroxy-oxo-sulfanylidene-λ6-sulfane
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ethyl hydrogen sulfate
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ethyl hydrogen sulfate;sulfur dioxide
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CID 173432224
CID 173432224
sodium;ethyl hydrogen sulfate;hydride;sulfuric acid
CID 174986471
O-ethylhydroxylamine;methanesulfonic acid
CID 172739815
hydroxy-oxo-pent-3-enoxy-sulfanylidene-λ6-sulfane
CID 54564918
barium(2+);hydride;hydroxy-(3-methylbutoxy)-oxo-sulfanylidene-λ6-sulfane
CID 173237686

Frequently Asked Questions

What is the IUPAC name of CID 87964980?
The IUPAC name of CID 87964980 (CID 87964980) is not available.
What is the SMILES notation for CID 87964980?
The canonical SMILES for CID 87964980 is CCOS(=O)(O)=S.[Na].
What is the InChIKey of CID 87964980?
The InChIKey is CSRJDATWBWTREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O3S2.Na/c1-2-5-7(3,4)6;/h2H2,1H3,(H,3,4,6);.
What are the key properties of CID 87964980?
CID 87964980 has a molecular weight of 165.19 g/mol, XLogP of -0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87964980 is sourced from PubChem (CID 87964980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).