1,3-dichlorobenzene;sulfanol

C6H6Cl2OS — CID 174381890

IUPAC1,3-dichlorobenzene;sulfanol
SMILESClc1cccc(Cl)c1.OS
InChIInChI=1S/C6H4Cl2.H2OS/c7-5-2-1-3-6(8)4-5;1-2/h1-4H;1-2H
InChIKeyFFNIZNCOTXETCJ-UHFFFAOYSA-N
MW197.09 g/mol
LogP3.38
Rot. Bonds

About 1,3-dichlorobenzene;sulfanol

1,3-dichlorobenzene;sulfanol (PubChem CID 174381890) has the molecular formula C6H6Cl2OS and a molecular weight of 197.09 g/mol. Its IUPAC name is 1,3-dichlorobenzene;sulfanol.

Molecular Properties

Compound Name1,3-dichlorobenzene;sulfanol
PubChem CID174381890
Molecular FormulaC6H6Cl2OS
Molecular Weight197.09 g/mol
Exact Mass195.95
IUPAC Name1,3-dichlorobenzene;sulfanol
SMILESClc1cccc(Cl)c1.OS
InChIInChI=1S/C6H4Cl2.H2OS/c7-5-2-1-3-6(8)4-5;1-2/h1-4H;1-2H
InChIKeyFFNIZNCOTXETCJ-UHFFFAOYSA-N
XLogP3.38
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.09
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

azane;1,3-dichlorobenzene
CID 67301049
1,3-dichlorobenzene;trihydrofluoride
CID 172846672
magnesium;1,3-dichlorobenzene;hydride
CID 173052292
sodium;1,3-dichlorobenzene;hydride
CID 175271520
1,3-dichlorobenzene;guanidine
CID 174959611
butane;1,3-dichlorobenzene
CID 174455068
acetic acid;1,3-dichlorobenzene;hydrate
CID 118105432
1,3-dichlorobenzene;2,4-dichlorophenol
CID 141496393
CID 11133415
CID 11133415
3-chlorobenzenethiol;ethane
CID 142302277
(3-chlorophenyl)methanediol
CID 20679602
N-(3-chlorophenyl)thiohydroxylamine
CID 154305883

Frequently Asked Questions

What is the IUPAC name of 1,3-dichlorobenzene;sulfanol?
The IUPAC name of 1,3-dichlorobenzene;sulfanol (CID 174381890) is 1,3-dichlorobenzene;sulfanol.
What is the SMILES notation for 1,3-dichlorobenzene;sulfanol?
The canonical SMILES for 1,3-dichlorobenzene;sulfanol is Clc1cccc(Cl)c1.OS.
What is the InChIKey of 1,3-dichlorobenzene;sulfanol?
The InChIKey is FFNIZNCOTXETCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2.H2OS/c7-5-2-1-3-6(8)4-5;1-2/h1-4H;1-2H.
What are the key properties of 1,3-dichlorobenzene;sulfanol?
1,3-dichlorobenzene;sulfanol has a molecular weight of 197.09 g/mol, XLogP of 3.38, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichlorobenzene;sulfanol is sourced from PubChem (CID 174381890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).