bis(2-hydroxybenzoic acid);sulfane

C14H14O6S — CID 172742301

IUPACbis(2-hydroxybenzoic acid);sulfane
SMILESO=C(O)c1ccccc1O.O=C(O)c1ccccc1O.S
InChIInChI=1S/2C7H6O3.H2S/c2*8-6-4-2-1-3-5(6)7(9)10;/h2*1-4,8H,(H,9,10);1H2
InChIKeyJGNGZTPVLAAXFL-UHFFFAOYSA-N
MW310.33 g/mol
LogP2.29
Rot. Bonds2

About bis(2-hydroxybenzoic acid);sulfane

bis(2-hydroxybenzoic acid);sulfane (PubChem CID 172742301) has the molecular formula C14H14O6S and a molecular weight of 310.33 g/mol. Its IUPAC name is bis(2-hydroxybenzoic acid);sulfane.

Molecular Properties

Compound Namebis(2-hydroxybenzoic acid);sulfane
PubChem CID172742301
Molecular FormulaC14H14O6S
Molecular Weight310.33 g/mol
Exact Mass310.05
IUPAC Namebis(2-hydroxybenzoic acid);sulfane
SMILESO=C(O)c1ccccc1O.O=C(O)c1ccccc1O.S
InChIInChI=1S/2C7H6O3.H2S/c2*8-6-4-2-1-3-5(6)7(9)10;/h2*1-4,8H,(H,9,10);1H2
InChIKeyJGNGZTPVLAAXFL-UHFFFAOYSA-N
XLogP2.29
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 52.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

CID 87183669
CID 87183669
2-hydroxybenzoic acid;hydrobromide
CID 70122828
gadolinium;tris(2-hydroxybenzoic acid)
CID 135122115
chromium;2-hydroxybenzoic acid
CID 87079476
2-hydroxybenzoic acid;praseodymium
CID 87786006
2-hydroxybenzoic acid;bis(yttrium)
CID 20697161
2-hydroxybenzoic acid;silver
CID 87326670
strontium;hydride;2-hydroxybenzoic acid
CID 172999910
2-hydroxybenzoic acid;hypochlorous acid
CID 68579561
2-hydroxybenzoic acid;molecular hydrogen
CID 143717517
azanide;2-hydroxybenzoic acid;platinum(2+)
CID 59733827
dilithium;hydride;2-hydroxybenzoic acid
CID 173002091

Frequently Asked Questions

What is the IUPAC name of bis(2-hydroxybenzoic acid);sulfane?
The IUPAC name of bis(2-hydroxybenzoic acid);sulfane (CID 172742301) is bis(2-hydroxybenzoic acid);sulfane.
What is the SMILES notation for bis(2-hydroxybenzoic acid);sulfane?
The canonical SMILES for bis(2-hydroxybenzoic acid);sulfane is O=C(O)c1ccccc1O.O=C(O)c1ccccc1O.S.
What is the InChIKey of bis(2-hydroxybenzoic acid);sulfane?
The InChIKey is JGNGZTPVLAAXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H6O3.H2S/c2*8-6-4-2-1-3-5(6)7(9)10;/h2*1-4,8H,(H,9,10);1H2.
What are the key properties of bis(2-hydroxybenzoic acid);sulfane?
bis(2-hydroxybenzoic acid);sulfane has a molecular weight of 310.33 g/mol, XLogP of 2.29, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-hydroxybenzoic acid);sulfane is sourced from PubChem (CID 172742301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).