CID 67677158

C14H10KN2O6S2 — CID 67677158

IUPAC—
SMILESO=C1NS(=O)(=O)c2ccccc21.O=C1NS(=O)(=O)c2ccccc21.[K]
InChIInChI=1S/2C7H5NO3S.K/c2*9-7-5-3-1-2-4-6(5)12(10,11)8-7;/h2*1-4H,(H,8,9);
InChIKeyOXMALHPBSTUXQB-UHFFFAOYSA-N
MW405.47 g/mol
LogP-0.14
Rot. Bonds

About CID 67677158

CID 67677158 (PubChem CID 67677158) has the molecular formula C14H10KN2O6S2 and a molecular weight of 405.47 g/mol.

Molecular Properties

Compound NameCID 67677158
PubChem CID67677158
Molecular FormulaC14H10KN2O6S2
Molecular Weight405.47 g/mol
Exact Mass404.96
IUPAC Name—
SMILESO=C1NS(=O)(=O)c2ccccc21.O=C1NS(=O)(=O)c2ccccc21.[K]
InChIInChI=1S/2C7H5NO3S.K/c2*9-7-5-3-1-2-4-6(5)12(10,11)8-7;/h2*1-4H,(H,8,9);
InChIKeyOXMALHPBSTUXQB-UHFFFAOYSA-N
XLogP-0.14
TPSA126.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1,1-dioxo-1,2-benzothiazol-3-one;hydron
CID 135264124
1,1-dioxo-1,2-benzothiazol-3-one;iron
CID 175330188
1,1-dioxo-1,2-benzothiazol-3-one;hydrate
CID 66978509
copper(1+);1,1-dioxo-1,2-benzothiazol-3-one
CID 23615957
1,2-Benzothiazol-3(2H)-one 1,1-dioxide disodium salt
CID 69118459
tris(1,1-dioxo-1,2-benzothiazol-3-one);iron;hydrate
CID 66878202
1,1-dioxo-1,2-benzothiazol-3-one;iron;zinc
CID 175249806
pentacosasodium;1,1-dioxo-1,2-benzothiazol-3-one;hydride
CID 173439945
disodium;1,1-dioxo-1,2-benzothiazol-3-one;difluoride
CID 174471763
CID 174881995
CID 174881995
sodium;1,1-dioxo-1,2-benzothiazol-3-one;hydrate
CID 18324648
acetic acid;bis(1,1-dioxo-1,2-benzothiazol-3-one)
CID 172774685

Frequently Asked Questions

What is the IUPAC name of CID 67677158?
The IUPAC name of CID 67677158 (CID 67677158) is not available.
What is the SMILES notation for CID 67677158?
The canonical SMILES for CID 67677158 is O=C1NS(=O)(=O)c2ccccc21.O=C1NS(=O)(=O)c2ccccc21.[K].
What is the InChIKey of CID 67677158?
The InChIKey is OXMALHPBSTUXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H5NO3S.K/c2*9-7-5-3-1-2-4-6(5)12(10,11)8-7;/h2*1-4H,(H,8,9);.
What are the key properties of CID 67677158?
CID 67677158 has a molecular weight of 405.47 g/mol, XLogP of -0.14, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67677158 is sourced from PubChem (CID 67677158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).