(4-undecylphenyl) thiohypochlorite

C17H27ClS — CID 144733543

IUPAC(4-undecylphenyl) thiohypochlorite
SMILESCCCCCCCCCCCc1ccc(SCl)cc1
InChIInChI=1S/C17H27ClS/c1-2-3-4-5-6-7-8-9-10-11-16-12-14-17(19-18)15-13-16/h12-15H,2-11H2,1H3
InChIKeyKLRYTWLDVBEARU-UHFFFAOYSA-N
MW298.92 g/mol
LogP7.01
Rot. Bonds11

About (4-undecylphenyl) thiohypochlorite

(4-undecylphenyl) thiohypochlorite (PubChem CID 144733543) has the molecular formula C17H27ClS and a molecular weight of 298.92 g/mol. Its IUPAC name is (4-undecylphenyl) thiohypochlorite.

Molecular Properties

Compound Name(4-undecylphenyl) thiohypochlorite
PubChem CID144733543
Molecular FormulaC17H27ClS
Molecular Weight298.92 g/mol
Exact Mass298.15
IUPAC Name(4-undecylphenyl) thiohypochlorite
SMILESCCCCCCCCCCCc1ccc(SCl)cc1
InChIInChI=1S/C17H27ClS/c1-2-3-4-5-6-7-8-9-10-11-16-12-14-17(19-18)15-13-16/h12-15H,2-11H2,1H3
InChIKeyKLRYTWLDVBEARU-UHFFFAOYSA-N
XLogP7.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.92
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4-dodecylphenyl) thiohypochlorite
CID 71324332
1-butyl-4-nonylbenzene
CID 59545302
(4-dodecylphenyl)methyl thiohypochlorite
CID 22894472
1-hexyl-4-(4-methylphenyl)sulfanylbenzene
CID 143882001
1-ethyl-4-octacosylbenzene
CID 175218304
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
1-[2-(4-decylphenyl)ethynyl]-4-[2-(4-hexylphenyl)ethynyl]benzene
CID 19790521
1-decylsulfanyl-4-(4-pentylphenyl)benzene
CID 70386914
1-methyl-4-octylbenzene
CID 11052746
(4-hexylphenyl) carbamodithioate
CID 174477141
(4-heptylphenyl)sulfanyl-dihydroxy-sulfanylidene-λ5-phosphane
CID 88640500
CID 59759292
CID 59759292

Frequently Asked Questions

What is the IUPAC name of (4-undecylphenyl) thiohypochlorite?
The IUPAC name of (4-undecylphenyl) thiohypochlorite (CID 144733543) is (4-undecylphenyl) thiohypochlorite.
What is the SMILES notation for (4-undecylphenyl) thiohypochlorite?
The canonical SMILES for (4-undecylphenyl) thiohypochlorite is CCCCCCCCCCCc1ccc(SCl)cc1.
What is the InChIKey of (4-undecylphenyl) thiohypochlorite?
The InChIKey is KLRYTWLDVBEARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClS/c1-2-3-4-5-6-7-8-9-10-11-16-12-14-17(19-18)15-13-16/h12-15H,2-11H2,1H3.
What are the key properties of (4-undecylphenyl) thiohypochlorite?
(4-undecylphenyl) thiohypochlorite has a molecular weight of 298.92 g/mol, XLogP of 7.01, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-undecylphenyl) thiohypochlorite is sourced from PubChem (CID 144733543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).