benzenethiol;chlorobenzene

C12H11ClS — CID 158473676

IUPACbenzenethiol;chlorobenzene
SMILESClc1ccccc1.Sc1ccccc1
InChIInChI=1S/C6H5Cl.C6H6S/c2*7-6-4-2-1-3-5-6/h1-5H;1-5,7H
InChIKeyHGQXRWZYWRSOAW-UHFFFAOYSA-N
MW222.74 g/mol
LogP4.32
Rot. Bonds

About benzenethiol;chlorobenzene

benzenethiol;chlorobenzene (PubChem CID 158473676) has the molecular formula C12H11ClS and a molecular weight of 222.74 g/mol. Its IUPAC name is benzenethiol;chlorobenzene.

Molecular Properties

Compound Namebenzenethiol;chlorobenzene
PubChem CID158473676
Molecular FormulaC12H11ClS
Molecular Weight222.74 g/mol
Exact Mass222.03
IUPAC Namebenzenethiol;chlorobenzene
SMILESClc1ccccc1.Sc1ccccc1
InChIInChI=1S/C6H5Cl.C6H6S/c2*7-6-4-2-1-3-5-6/h1-5H;1-5,7H
InChIKeyHGQXRWZYWRSOAW-UHFFFAOYSA-N
XLogP4.32
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.74
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

benzene;chlorobenzene
CID 159657667
potassium benzenethiol
CID 21480154
CID 175237801
CID 175237801
chlorobenzene;chromium
CID 139244081
azane;chlorobenzene
CID 20560159
benzenethiol;palladium
CID 174858615
bismuthane;chlorobenzene
CID 174535973
magnesium;benzenethiol;hydride
CID 173349769
magnesium;chlorobenzene;chloride
CID 22400294
potassium;benzenethiol;hydride
CID 173102690
chlorobenzene;titanium(4+);tetrachloride
CID 173055118
potassium;chlorobenzene;hydride
CID 173115077

Frequently Asked Questions

What is the IUPAC name of benzenethiol;chlorobenzene?
The IUPAC name of benzenethiol;chlorobenzene (CID 158473676) is benzenethiol;chlorobenzene.
What is the SMILES notation for benzenethiol;chlorobenzene?
The canonical SMILES for benzenethiol;chlorobenzene is Clc1ccccc1.Sc1ccccc1.
What is the InChIKey of benzenethiol;chlorobenzene?
The InChIKey is HGQXRWZYWRSOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl.C6H6S/c2*7-6-4-2-1-3-5-6/h1-5H;1-5,7H.
What are the key properties of benzenethiol;chlorobenzene?
benzenethiol;chlorobenzene has a molecular weight of 222.74 g/mol, XLogP of 4.32, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzenethiol;chlorobenzene is sourced from PubChem (CID 158473676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).