(4-nitrophenyl) thiohypochlorite;propane

C9H12ClNO2S — CID 144684047

IUPAC(4-nitrophenyl) thiohypochlorite;propane
SMILESCCC.O=[N+]([O-])c1ccc(SCl)cc1
InChIInChI=1S/C6H4ClNO2S.C3H8/c7-11-6-3-1-5(2-4-6)8(9)10;1-3-2/h1-4H;3H2,1-2H3
InChIKeyRMKZYLTZCCVNGW-UHFFFAOYSA-N
MW233.72 g/mol
LogP4.26
Rot. Bonds2

About (4-nitrophenyl) thiohypochlorite;propane

(4-nitrophenyl) thiohypochlorite;propane (PubChem CID 144684047) has the molecular formula C9H12ClNO2S and a molecular weight of 233.72 g/mol. Its IUPAC name is (4-nitrophenyl) thiohypochlorite;propane.

Molecular Properties

Compound Name(4-nitrophenyl) thiohypochlorite;propane
PubChem CID144684047
Molecular FormulaC9H12ClNO2S
Molecular Weight233.72 g/mol
Exact Mass233.03
IUPAC Name(4-nitrophenyl) thiohypochlorite;propane
SMILESCCC.O=[N+]([O-])c1ccc(SCl)cc1
InChIInChI=1S/C6H4ClNO2S.C3H8/c7-11-6-3-1-5(2-4-6)8(9)10;1-3-2/h1-4H;3H2,1-2H3
InChIKeyRMKZYLTZCCVNGW-UHFFFAOYSA-N
XLogP4.26
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.72
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-nitro-4-(4-nitrophenyl)sulfanylbenzene
CID 14655
1-butylsulfanyl-4-nitrobenzene
CID 12617397
1-nitro-4-[(4-nitrophenyl)tetrasulfanyl]benzene
CID 11090037
1-(dichloromethylsulfanyl)-4-nitrobenzene
CID 21224746
1-dodecylsulfanyl-4-nitrobenzene
CID 13010698
1-hexylsulfanyl-4-nitrobenzene
CID 13010697
1-(2-ethoxyethylsulfanyl)-4-nitrobenzene
CID 57275569
1,2-diethyl-4-(4-nitrophenyl)sulfanylbenzene
CID 91879901
ethyl-[(4-nitrophenyl)sulfanylmethyl]phosphinous acid
CID 156816975
1-diethoxyphosphorylsulfanyl-4-nitrobenzene
CID 3032440
azane;1-ethyl-4-nitrobenzene
CID 19043225
1-(2-ethylsulfonylethenylsulfanyl)-4-nitrobenzene
CID 54207812

Frequently Asked Questions

What is the IUPAC name of (4-nitrophenyl) thiohypochlorite;propane?
The IUPAC name of (4-nitrophenyl) thiohypochlorite;propane (CID 144684047) is (4-nitrophenyl) thiohypochlorite;propane.
What is the SMILES notation for (4-nitrophenyl) thiohypochlorite;propane?
The canonical SMILES for (4-nitrophenyl) thiohypochlorite;propane is CCC.O=[N+]([O-])c1ccc(SCl)cc1.
What is the InChIKey of (4-nitrophenyl) thiohypochlorite;propane?
The InChIKey is RMKZYLTZCCVNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClNO2S.C3H8/c7-11-6-3-1-5(2-4-6)8(9)10;1-3-2/h1-4H;3H2,1-2H3.
What are the key properties of (4-nitrophenyl) thiohypochlorite;propane?
(4-nitrophenyl) thiohypochlorite;propane has a molecular weight of 233.72 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitrophenyl) thiohypochlorite;propane is sourced from PubChem (CID 144684047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).