(4-propylphenyl)sulfanyl hypochlorite

C9H11ClOS — CID 143539477

IUPAC(4-propylphenyl)sulfanyl hypochlorite
SMILESCCCc1ccc(SOCl)cc1
InChIInChI=1S/C9H11ClOS/c1-2-3-8-4-6-9(7-5-8)12-11-10/h4-7H,2-3H2,1H3
InChIKeyOBZUVXBWIHNIMZ-UHFFFAOYSA-N
MW202.71 g/mol
LogP3.82
Rot. Bonds4

About (4-propylphenyl)sulfanyl hypochlorite

(4-propylphenyl)sulfanyl hypochlorite (PubChem CID 143539477) has the molecular formula C9H11ClOS and a molecular weight of 202.71 g/mol. Its IUPAC name is (4-propylphenyl)sulfanyl hypochlorite.

Molecular Properties

Compound Name(4-propylphenyl)sulfanyl hypochlorite
PubChem CID143539477
Molecular FormulaC9H11ClOS
Molecular Weight202.71 g/mol
Exact Mass202.02
IUPAC Name(4-propylphenyl)sulfanyl hypochlorite
SMILESCCCc1ccc(SOCl)cc1
InChIInChI=1S/C9H11ClOS/c1-2-3-8-4-6-9(7-5-8)12-11-10/h4-7H,2-3H2,1H3
InChIKeyOBZUVXBWIHNIMZ-UHFFFAOYSA-N
XLogP3.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.71
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-propylphenyl) hypochlorite
CID 175330115
1-fluoro-4-propylbenzene
CID 2737505
1-butylsulfanyl-4-propylbenzene
CID 139386547
1-propyl-4-(trifluoromethylsulfanyl)benzene
CID 70828854
1-propyl-4-[(4-propylphenyl)methyl]benzene
CID 4064340
1-propyl-4-[2-[2-(4-propylphenyl)ethylperoxy]ethyl]benzene
CID 174424801
1-propyl-4-[2-[2-(4-propylphenyl)ethoxy]ethyl]benzene
CID 167637922
1-propyl-4-(trimethoxymethyl)benzene
CID 123623052
1-but-3-ynyl-4-propylbenzene
CID 57182536
1-propyl-4-[4-(4-propylphenyl)buta-1,3-diynyl]benzene
CID 14573547
ethane;1-methoxy-4-propylbenzene
CID 142085762
(4-methylsulfanylphenyl)-(4-propylphenyl)methanol
CID 79217067

Frequently Asked Questions

What is the IUPAC name of (4-propylphenyl)sulfanyl hypochlorite?
The IUPAC name of (4-propylphenyl)sulfanyl hypochlorite (CID 143539477) is (4-propylphenyl)sulfanyl hypochlorite.
What is the SMILES notation for (4-propylphenyl)sulfanyl hypochlorite?
The canonical SMILES for (4-propylphenyl)sulfanyl hypochlorite is CCCc1ccc(SOCl)cc1.
What is the InChIKey of (4-propylphenyl)sulfanyl hypochlorite?
The InChIKey is OBZUVXBWIHNIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClOS/c1-2-3-8-4-6-9(7-5-8)12-11-10/h4-7H,2-3H2,1H3.
What are the key properties of (4-propylphenyl)sulfanyl hypochlorite?
(4-propylphenyl)sulfanyl hypochlorite has a molecular weight of 202.71 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propylphenyl)sulfanyl hypochlorite is sourced from PubChem (CID 143539477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).