(2,4-dichlorophenyl)-imino-methyl-oxo-λ6-sulfane

C7H7Cl2NOS — CID 125424590

IUPAC(2,4-dichlorophenyl)-imino-methyl-oxo-λ6-sulfane
SMILES[H]N=[S@@](C)(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C7H7Cl2NOS/c1-12(10,11)7-3-2-5(8)4-6(7)9/h2-4,10H,1H3/t12-/m0/s1
InChIKeyGGURABUGDWTLCV-LBPRGKRZSA-N
MW224.11 g/mol
LogP3.03
Rot. Bonds1

About (2,4-dichlorophenyl)-imino-methyl-oxo-λ6-sulfane

(2,4-dichlorophenyl)-imino-methyl-oxo-λ6-sulfane (PubChem CID 125424590) has the molecular formula C7H7Cl2NOS and a molecular weight of 224.11 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-imino-methyl-oxo-λ6-sulfane.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-imino-methyl-oxo-λ6-sulfane
PubChem CID125424590
Molecular FormulaC7H7Cl2NOS
Molecular Weight224.11 g/mol
Exact Mass222.96
IUPAC Name(2,4-dichlorophenyl)-imino-methyl-oxo-λ6-sulfane
SMILES[H]N=[S@@](C)(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C7H7Cl2NOS/c1-12(10,11)7-3-2-5(8)4-6(7)9/h2-4,10H,1H3/t12-/m0/s1
InChIKeyGGURABUGDWTLCV-LBPRGKRZSA-N
XLogP3.03
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.11
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dichloro-1-propan-2-ylsulfonylbenzene
CID 22953661
N-[(2,4-dichlorophenyl)-methyl-oxo-λ6-sulfanylidene]sulfamoyl chloride
CID 125424579
sodium;2,4-dichlorobenzenesulfonic acid;hydride
CID 173175851
carbanide;(2,4-dichlorophenyl)sulfonyl-methylazanide;yttrium
CID 58436491
2,4-dichloro-N-hydroxybenzenesulfonamide
CID 83542895
4-(2,4-dichlorophenyl)sulfonyl-3,5-dimethyl-4H-pyrazole
CID 59823147
2-bromo-4-chloro-1-methylsulfonylbenzene
CID 75487839
2,4-dichloro-N-[2-[(2,4-dichlorophenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 70137943
sulfuryl dichloride;1,2,4-trichlorobenzene
CID 77134549
2-(2,4-dichlorophenyl)-2-methylpropane-1-sulfonyl chloride
CID 82308452
2,4-dichloro-N-cyclohexyl-N-methylbenzenesulfonamide
CID 39116250
2,4-dichloro-N-(2-methoxyethyl)benzenesulfonamide
CID 15943940

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-imino-methyl-oxo-λ6-sulfane?
The IUPAC name of (2,4-dichlorophenyl)-imino-methyl-oxo-λ6-sulfane (CID 125424590) is (2,4-dichlorophenyl)-imino-methyl-oxo-λ6-sulfane.
What is the SMILES notation for (2,4-dichlorophenyl)-imino-methyl-oxo-λ6-sulfane?
The canonical SMILES for (2,4-dichlorophenyl)-imino-methyl-oxo-λ6-sulfane is [H]N=[S@@](C)(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of (2,4-dichlorophenyl)-imino-methyl-oxo-λ6-sulfane?
The InChIKey is GGURABUGDWTLCV-LBPRGKRZSA-N. The full InChI is InChI=1S/C7H7Cl2NOS/c1-12(10,11)7-3-2-5(8)4-6(7)9/h2-4,10H,1H3/t12-/m0/s1.
What are the key properties of (2,4-dichlorophenyl)-imino-methyl-oxo-λ6-sulfane?
(2,4-dichlorophenyl)-imino-methyl-oxo-λ6-sulfane has a molecular weight of 224.11 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-imino-methyl-oxo-λ6-sulfane is sourced from PubChem (CID 125424590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).