benzenethiol;sulfur dioxide

C6H6O2S2 — CID 67056260

IUPACbenzenethiol;sulfur dioxide
SMILESO=S=O.Sc1ccccc1
InChIInChI=1S/C6H6S.O2S/c7-6-4-2-1-3-5-6;1-3-2/h1-5,7H;
InChIKeyBPHIZMSIAZSSGC-UHFFFAOYSA-N
MW174.25 g/mol
LogP1.31
Rot. Bonds

About benzenethiol;sulfur dioxide

benzenethiol;sulfur dioxide (PubChem CID 67056260) has the molecular formula C6H6O2S2 and a molecular weight of 174.25 g/mol. Its IUPAC name is benzenethiol;sulfur dioxide.

Molecular Properties

Compound Namebenzenethiol;sulfur dioxide
PubChem CID67056260
Molecular FormulaC6H6O2S2
Molecular Weight174.25 g/mol
Exact Mass173.98
IUPAC Namebenzenethiol;sulfur dioxide
SMILESO=S=O.Sc1ccccc1
InChIInChI=1S/C6H6S.O2S/c7-6-4-2-1-3-5-6;1-3-2/h1-5,7H;
InChIKeyBPHIZMSIAZSSGC-UHFFFAOYSA-N
XLogP1.31
TPSA34.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 174468726
potassium;benzenethiol;hydride
CID 173102690
magnesium;benzenethiol;hydride
CID 173349769
benzenethiol;methanamine
CID 174416805
CID 21119592
CID 21119592
benzenethiol;chlorobenzene
CID 158473676
benzenethiol;2-sulfanylethanethioic S-acid
CID 87478474
benzenethiol;ethane;methylsulfanylbenzene
CID 145032144
CID 172858912
CID 172858912

Frequently Asked Questions

What is the IUPAC name of benzenethiol;sulfur dioxide?
The IUPAC name of benzenethiol;sulfur dioxide (CID 67056260) is benzenethiol;sulfur dioxide.
What is the SMILES notation for benzenethiol;sulfur dioxide?
The canonical SMILES for benzenethiol;sulfur dioxide is O=S=O.Sc1ccccc1.
What is the InChIKey of benzenethiol;sulfur dioxide?
The InChIKey is BPHIZMSIAZSSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6S.O2S/c7-6-4-2-1-3-5-6;1-3-2/h1-5,7H;.
What are the key properties of benzenethiol;sulfur dioxide?
benzenethiol;sulfur dioxide has a molecular weight of 174.25 g/mol, XLogP of 1.31, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzenethiol;sulfur dioxide is sourced from PubChem (CID 67056260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).