(2-propylphenyl) thiohypochlorite

C9H11ClS — CID 144705767

IUPAC(2-propylphenyl) thiohypochlorite
SMILESCCCc1ccccc1SCl
InChIInChI=1S/C9H11ClS/c1-2-5-8-6-3-4-7-9(8)11-10/h3-4,6-7H,2,5H2,1H3
InChIKeyUMNPRAOQMMSULJ-UHFFFAOYSA-N
MW186.71 g/mol
LogP3.88
Rot. Bonds3

About (2-propylphenyl) thiohypochlorite

(2-propylphenyl) thiohypochlorite (PubChem CID 144705767) has the molecular formula C9H11ClS and a molecular weight of 186.71 g/mol. Its IUPAC name is (2-propylphenyl) thiohypochlorite.

Molecular Properties

Compound Name(2-propylphenyl) thiohypochlorite
PubChem CID144705767
Molecular FormulaC9H11ClS
Molecular Weight186.71 g/mol
Exact Mass186.03
IUPAC Name(2-propylphenyl) thiohypochlorite
SMILESCCCc1ccccc1SCl
InChIInChI=1S/C9H11ClS/c1-2-5-8-6-3-4-7-9(8)11-10/h3-4,6-7H,2,5H2,1H3
InChIKeyUMNPRAOQMMSULJ-UHFFFAOYSA-N
XLogP3.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.71
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-fluoroethoxysulfanyl)-2-propylbenzene
CID 91479976
diethyl 2-(2-propylphenyl)sulfanylpropanedioate
CID 70068030
1-butyl-2-(disulfanyl)benzene
CID 88545056
1-butyl-2-propan-2-ylsulfanylbenzene
CID 142056517
nickel;1-octyl-2-(2-octylphenyl)sulfanylbenzene
CID 87071455
1-(2-bromoethyl)-2-propylbenzene
CID 70218831
1-(1-methoxyethoxy)-2-propylbenzene
CID 173377858
ethane;(2-propylphenyl)methanethiol
CID 142320785
2-chloro-3-(2-propylphenyl)propanal
CID 62396063
1-(1-phenylpropan-2-yl)-2-propylbenzene
CID 18968363
N-methyl-2-(2-propylphenyl)propan-1-amine
CID 105425339
2,5-dimethyl-4-(2-propylphenyl)sulfanylbenzenediazonium
CID 20720498

Frequently Asked Questions

What is the IUPAC name of (2-propylphenyl) thiohypochlorite?
The IUPAC name of (2-propylphenyl) thiohypochlorite (CID 144705767) is (2-propylphenyl) thiohypochlorite.
What is the SMILES notation for (2-propylphenyl) thiohypochlorite?
The canonical SMILES for (2-propylphenyl) thiohypochlorite is CCCc1ccccc1SCl.
What is the InChIKey of (2-propylphenyl) thiohypochlorite?
The InChIKey is UMNPRAOQMMSULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClS/c1-2-5-8-6-3-4-7-9(8)11-10/h3-4,6-7H,2,5H2,1H3.
What are the key properties of (2-propylphenyl) thiohypochlorite?
(2-propylphenyl) thiohypochlorite has a molecular weight of 186.71 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propylphenyl) thiohypochlorite is sourced from PubChem (CID 144705767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).