(4-dodecylphenyl) thiohypochlorite

C18H29ClS — CID 71324332

IUPAC(4-dodecylphenyl) thiohypochlorite
SMILESCCCCCCCCCCCCc1ccc(SCl)cc1
InChIInChI=1S/C18H29ClS/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(20-19)16-14-17/h13-16H,2-12H2,1H3
InChIKeyLJXYGEMZYAEDHE-UHFFFAOYSA-N
MW312.95 g/mol
LogP7.40
Rot. Bonds12

About (4-dodecylphenyl) thiohypochlorite

(4-dodecylphenyl) thiohypochlorite (PubChem CID 71324332) has the molecular formula C18H29ClS and a molecular weight of 312.95 g/mol. Its IUPAC name is (4-dodecylphenyl) thiohypochlorite.

Molecular Properties

Compound Name(4-dodecylphenyl) thiohypochlorite
PubChem CID71324332
Molecular FormulaC18H29ClS
Molecular Weight312.95 g/mol
Exact Mass312.17
IUPAC Name(4-dodecylphenyl) thiohypochlorite
SMILESCCCCCCCCCCCCc1ccc(SCl)cc1
InChIInChI=1S/C18H29ClS/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(20-19)16-14-17/h13-16H,2-12H2,1H3
InChIKeyLJXYGEMZYAEDHE-UHFFFAOYSA-N
XLogP7.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.95
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4-dodecylphenyl) thiohypochlorite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-undecylphenyl) thiohypochlorite
CID 144733543
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-dodecylphenyl) thiohypochlorite?
The IUPAC name of (4-dodecylphenyl) thiohypochlorite (CID 71324332) is (4-dodecylphenyl) thiohypochlorite.
What is the SMILES notation for (4-dodecylphenyl) thiohypochlorite?
The canonical SMILES for (4-dodecylphenyl) thiohypochlorite is CCCCCCCCCCCCc1ccc(SCl)cc1.
What is the InChIKey of (4-dodecylphenyl) thiohypochlorite?
The InChIKey is LJXYGEMZYAEDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29ClS/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(20-19)16-14-17/h13-16H,2-12H2,1H3.
What are the key properties of (4-dodecylphenyl) thiohypochlorite?
(4-dodecylphenyl) thiohypochlorite has a molecular weight of 312.95 g/mol, XLogP of 7.40, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-dodecylphenyl) thiohypochlorite is sourced from PubChem (CID 71324332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).