[2,3,4-tri(propan-2-yl)phenyl] thiohypochlorite

C15H23ClS — CID 19977431

IUPAC[2,3,4-tri(propan-2-yl)phenyl] thiohypochlorite
SMILESCC(C)c1ccc(SCl)c(C(C)C)c1C(C)C
InChIInChI=1S/C15H23ClS/c1-9(2)12-7-8-13(17-16)15(11(5)6)14(12)10(3)4/h7-11H,1-6H3
InChIKeyNKNFMLXVIJJRDZ-UHFFFAOYSA-N
MW270.87 g/mol
LogP6.30
Rot. Bonds4

About [2,3,4-tri(propan-2-yl)phenyl] thiohypochlorite

[2,3,4-tri(propan-2-yl)phenyl] thiohypochlorite (PubChem CID 19977431) has the molecular formula C15H23ClS and a molecular weight of 270.87 g/mol. Its IUPAC name is [2,3,4-tri(propan-2-yl)phenyl] thiohypochlorite.

Molecular Properties

Compound Name[2,3,4-tri(propan-2-yl)phenyl] thiohypochlorite
PubChem CID19977431
Molecular FormulaC15H23ClS
Molecular Weight270.87 g/mol
Exact Mass270.12
IUPAC Name[2,3,4-tri(propan-2-yl)phenyl] thiohypochlorite
SMILESCC(C)c1ccc(SCl)c(C(C)C)c1C(C)C
InChIInChI=1S/C15H23ClS/c1-9(2)12-7-8-13(17-16)15(11(5)6)14(12)10(3)4/h7-11H,1-6H3
InChIKeyNKNFMLXVIJJRDZ-UHFFFAOYSA-N
XLogP6.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.87
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-Butyl-o-thiocresol
CID 84988
2,4-Dimethylbenzenethiol
CID 83617
3,4-Xylenethiol
CID 87799
Benzenethiol, 2-(1-methylethyl)-
CID 96003
2,3-Xylenethiol
CID 87798
4-Isopropylbenzenethiol
CID 521251
2,3,5,6-Tetramethylbenzenethiol
CID 2081007
1,2-Dimethyl-4-(methyldisulfanyl)benzene
CID 44561280
2,4-Diisopropylbenzenesulphonyl chloride
CID 3022297
2,3,4,5-Tetramethylbenzenesulfonyl chloride
CID 12503192
2,4-Di-tert-butylthiophenol
CID 519681
2,4,6-Triisopropylbenzenethiol
CID 613579

Frequently Asked Questions

What is the IUPAC name of [2,3,4-tri(propan-2-yl)phenyl] thiohypochlorite?
The IUPAC name of [2,3,4-tri(propan-2-yl)phenyl] thiohypochlorite (CID 19977431) is [2,3,4-tri(propan-2-yl)phenyl] thiohypochlorite.
What is the SMILES notation for [2,3,4-tri(propan-2-yl)phenyl] thiohypochlorite?
The canonical SMILES for [2,3,4-tri(propan-2-yl)phenyl] thiohypochlorite is CC(C)c1ccc(SCl)c(C(C)C)c1C(C)C.
What is the InChIKey of [2,3,4-tri(propan-2-yl)phenyl] thiohypochlorite?
The InChIKey is NKNFMLXVIJJRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClS/c1-9(2)12-7-8-13(17-16)15(11(5)6)14(12)10(3)4/h7-11H,1-6H3.
What are the key properties of [2,3,4-tri(propan-2-yl)phenyl] thiohypochlorite?
[2,3,4-tri(propan-2-yl)phenyl] thiohypochlorite has a molecular weight of 270.87 g/mol, XLogP of 6.30, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3,4-tri(propan-2-yl)phenyl] thiohypochlorite is sourced from PubChem (CID 19977431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).