(2,4-dinitrophenyl)methanesulfinyl chloride

C7H5ClN2O5S — CID 141082202

IUPAC(2,4-dinitrophenyl)methanesulfinyl chloride
SMILESO=[N+]([O-])c1ccc(CS(=O)Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C7H5ClN2O5S/c8-16(15)4-5-1-2-6(9(11)12)3-7(5)10(13)14/h1-3H,4H2
InChIKeyQRPZJFYCGKJHEC-UHFFFAOYSA-N
MW264.65 g/mol
LogP1.91
Rot. Bonds4

About (2,4-dinitrophenyl)methanesulfinyl chloride

(2,4-dinitrophenyl)methanesulfinyl chloride (PubChem CID 141082202) has the molecular formula C7H5ClN2O5S and a molecular weight of 264.65 g/mol. Its IUPAC name is (2,4-dinitrophenyl)methanesulfinyl chloride.

Molecular Properties

Compound Name(2,4-dinitrophenyl)methanesulfinyl chloride
PubChem CID141082202
Molecular FormulaC7H5ClN2O5S
Molecular Weight264.65 g/mol
Exact Mass263.96
IUPAC Name(2,4-dinitrophenyl)methanesulfinyl chloride
SMILESO=[N+]([O-])c1ccc(CS(=O)Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C7H5ClN2O5S/c8-16(15)4-5-1-2-6(9(11)12)3-7(5)10(13)14/h1-3H,4H2
InChIKeyQRPZJFYCGKJHEC-UHFFFAOYSA-N
XLogP1.91
TPSA103.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.65
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

2-[(2,4-dinitrophenyl)methylsulfinyl]acetic acid
CID 66222017
1-(2-fluoroethyl)-2,4-dinitrobenzene
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(2,4-dinitrophenyl)methanesulfonyl chloride
CID 18411991
2-(2,4-dinitrophenyl)acetonitrile
CID 5129344
1-(methylsulfanylmethyl)-2,4-dinitrobenzene
CID 20768719
1-(3-chloropentyl)-2,4-dinitrobenzene
CID 66221149
1-[4-[4-(2,4-dinitrophenyl)butoxy]butyl]-2,4-dinitrobenzene
CID 140975215
4-(2,4-dinitrophenyl)butan-2-one
CID 66223072
5-(2,4-dinitrophenyl)pentan-1-ol
CID 86720802
4-chloro-N-[(2,4-dinitrophenyl)methyl]aniline
CID 66221122
4-(2,4-dinitrophenyl)butan-2-ol
CID 66223081
(NZ)-N-[1-(2,4-dinitrophenyl)propan-2-ylidene]hydroxylamine
CID 5355471

Frequently Asked Questions

What is the IUPAC name of (2,4-dinitrophenyl)methanesulfinyl chloride?
The IUPAC name of (2,4-dinitrophenyl)methanesulfinyl chloride (CID 141082202) is (2,4-dinitrophenyl)methanesulfinyl chloride.
What is the SMILES notation for (2,4-dinitrophenyl)methanesulfinyl chloride?
The canonical SMILES for (2,4-dinitrophenyl)methanesulfinyl chloride is O=[N+]([O-])c1ccc(CS(=O)Cl)c([N+](=O)[O-])c1.
What is the InChIKey of (2,4-dinitrophenyl)methanesulfinyl chloride?
The InChIKey is QRPZJFYCGKJHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2O5S/c8-16(15)4-5-1-2-6(9(11)12)3-7(5)10(13)14/h1-3H,4H2.
What are the key properties of (2,4-dinitrophenyl)methanesulfinyl chloride?
(2,4-dinitrophenyl)methanesulfinyl chloride has a molecular weight of 264.65 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dinitrophenyl)methanesulfinyl chloride is sourced from PubChem (CID 141082202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).