N-[(2,4-dichloro-3-thionitrosophenyl)methyl]formamide

C8H6Cl2N2OS — CID 123661077

IUPACN-[(2,4-dichloro-3-thionitrosophenyl)methyl]formamide
SMILESO=CNCc1ccc(Cl)c(N=S)c1Cl
InChIInChI=1S/C8H6Cl2N2OS/c9-6-2-1-5(3-11-4-13)7(10)8(6)12-14/h1-2,4H,3H2,(H,11,13)
InChIKeyWMZJUJYMDIPZHX-UHFFFAOYSA-N
MW249.12 g/mol
LogP2.60
Rot. Bonds4

About N-[(2,4-dichloro-3-thionitrosophenyl)methyl]formamide

N-[(2,4-dichloro-3-thionitrosophenyl)methyl]formamide (PubChem CID 123661077) has the molecular formula C8H6Cl2N2OS and a molecular weight of 249.12 g/mol. Its IUPAC name is N-[(2,4-dichloro-3-thionitrosophenyl)methyl]formamide.

Molecular Properties

Compound NameN-[(2,4-dichloro-3-thionitrosophenyl)methyl]formamide
PubChem CID123661077
Molecular FormulaC8H6Cl2N2OS
Molecular Weight249.12 g/mol
Exact Mass247.96
IUPAC NameN-[(2,4-dichloro-3-thionitrosophenyl)methyl]formamide
SMILESO=CNCc1ccc(Cl)c(N=S)c1Cl
InChIInChI=1S/C8H6Cl2N2OS/c9-6-2-1-5(3-11-4-13)7(10)8(6)12-14/h1-2,4H,3H2,(H,11,13)
InChIKeyWMZJUJYMDIPZHX-UHFFFAOYSA-N
XLogP2.60
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.12
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-chloro-2-fluoro-3-methylphenyl)methyl]formamide
CID 177272339
N-[(4-chloro-2-fluorophenyl)methyl]formamide
CID 88924911
N-[(3,4-dichloro-2-pyridinyl)methyl]formamide
CID 139487439
N-[(2,4-dichlorophenyl)methyl]methanethioamide
CID 58279654
2-(formamidomethyl)-5-(trifluoromethyl)benzoic acid
CID 150751322
(2,3,4-trichlorophenyl)methylurea
CID 90771605
(3-chlorophenyl)methanamine;N-[(3-chlorophenyl)methyl]formamide
CID 87654409
2,6-dichloro-3-ethylbenzaldehyde
CID 86691282
4-(2,4-dichloro-3-isothiocyanatophenyl)-2-fluoro-2-methylbutanamide
CID 123198314
N-[[4-(aminomethyl)-3-fluorophenyl]methyl]formamide
CID 118871355
4-(2,4-dichloro-3-isothiocyanatophenyl)-2-methyl-2-(trifluoromethyl)butanamide
CID 123985293
2,6-dichloro-3-[[(2,2,2-trifluoroacetyl)amino]methyl]benzoic acid
CID 86658673

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichloro-3-thionitrosophenyl)methyl]formamide?
The IUPAC name of N-[(2,4-dichloro-3-thionitrosophenyl)methyl]formamide (CID 123661077) is N-[(2,4-dichloro-3-thionitrosophenyl)methyl]formamide.
What is the SMILES notation for N-[(2,4-dichloro-3-thionitrosophenyl)methyl]formamide?
The canonical SMILES for N-[(2,4-dichloro-3-thionitrosophenyl)methyl]formamide is O=CNCc1ccc(Cl)c(N=S)c1Cl.
What is the InChIKey of N-[(2,4-dichloro-3-thionitrosophenyl)methyl]formamide?
The InChIKey is WMZJUJYMDIPZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2N2OS/c9-6-2-1-5(3-11-4-13)7(10)8(6)12-14/h1-2,4H,3H2,(H,11,13).
What are the key properties of N-[(2,4-dichloro-3-thionitrosophenyl)methyl]formamide?
N-[(2,4-dichloro-3-thionitrosophenyl)methyl]formamide has a molecular weight of 249.12 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichloro-3-thionitrosophenyl)methyl]formamide is sourced from PubChem (CID 123661077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).