potassium 3,5-dimethylbenzenethiol

C8H10KS+ — CID 19605466

IUPACpotassium 3,5-dimethylbenzenethiol
SMILESCc1cc(C)cc(S)c1.[K+]
InChIInChI=1S/C8H10S.K/c1-6-3-7(2)5-8(9)4-6;/h3-5,9H,1-2H3;/q;+1
InChIKeyUQNYUMAPPWIOBW-UHFFFAOYSA-N
MW177.33 g/mol
LogP-0.40
Rot. Bonds

About potassium 3,5-dimethylbenzenethiol

potassium 3,5-dimethylbenzenethiol (PubChem CID 19605466) has the molecular formula C8H10KS+ and a molecular weight of 177.33 g/mol. Its IUPAC name is potassium 3,5-dimethylbenzenethiol.

Molecular Properties

Compound Namepotassium 3,5-dimethylbenzenethiol
PubChem CID19605466
Molecular FormulaC8H10KS+
Molecular Weight177.33 g/mol
Exact Mass177.01
IUPAC Namepotassium 3,5-dimethylbenzenethiol
SMILESCc1cc(C)cc(S)c1.[K+]
InChIInChI=1S/C8H10S.K/c1-6-3-7(2)5-8(9)4-6;/h3-5,9H,1-2H3;/q;+1
InChIKeyUQNYUMAPPWIOBW-UHFFFAOYSA-N
XLogP-0.40
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.33
LogP ≤ 5-0.40
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

3-methoxy-5-methylbenzenethiol
CID 22504719
CID 171375446
CID 171375446
titanium;bis(1,3,5-trimethylbenzene)
CID 12633333
ethane;1,3,5-trimethylbenzene
CID 91530079
3-ethenyl-5-methylbenzenethiol
CID 142152699
potassium 3-methylbenzenethiol
CID 21119024
3-methyl-5-phenylbenzenethiol
CID 154950467
ethane;3-ethenyl-5-methylbenzenethiol
CID 142152698
3-methyl-5-nitrobenzenethiol
CID 91873852
N-(3-methyl-5-sulfanylphenyl)acetamide
CID 59114064
oxophosphanium;1,3,5-trimethylbenzene
CID 162088075
formonitrile;1,3,5-trimethylbenzene
CID 174826910

Frequently Asked Questions

What is the IUPAC name of potassium 3,5-dimethylbenzenethiol?
The IUPAC name of potassium 3,5-dimethylbenzenethiol (CID 19605466) is potassium 3,5-dimethylbenzenethiol.
What is the SMILES notation for potassium 3,5-dimethylbenzenethiol?
The canonical SMILES for potassium 3,5-dimethylbenzenethiol is Cc1cc(C)cc(S)c1.[K+].
What is the InChIKey of potassium 3,5-dimethylbenzenethiol?
The InChIKey is UQNYUMAPPWIOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10S.K/c1-6-3-7(2)5-8(9)4-6;/h3-5,9H,1-2H3;/q;+1.
What are the key properties of potassium 3,5-dimethylbenzenethiol?
potassium 3,5-dimethylbenzenethiol has a molecular weight of 177.33 g/mol, XLogP of -0.40, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3,5-dimethylbenzenethiol is sourced from PubChem (CID 19605466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).