N-(2-chlorophenyl)-N-methylthiohydroxylamine

C7H8ClNS — CID 89048584

IUPACN-(2-chlorophenyl)-N-methylthiohydroxylamine
SMILESCN(S)c1ccccc1Cl
InChIInChI=1S/C7H8ClNS/c1-9(10)7-5-3-2-4-6(7)8/h2-5,10H,1H3
InChIKeyGVTYTZBYRNYECE-UHFFFAOYSA-N
MW173.67 g/mol
LogP2.62
Rot. Bonds1

About N-(2-chlorophenyl)-N-methylthiohydroxylamine

N-(2-chlorophenyl)-N-methylthiohydroxylamine (PubChem CID 89048584) has the molecular formula C7H8ClNS and a molecular weight of 173.67 g/mol. Its IUPAC name is N-(2-chlorophenyl)-N-methylthiohydroxylamine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-N-methylthiohydroxylamine
PubChem CID89048584
Molecular FormulaC7H8ClNS
Molecular Weight173.67 g/mol
Exact Mass173.01
IUPAC NameN-(2-chlorophenyl)-N-methylthiohydroxylamine
SMILESCN(S)c1ccccc1Cl
InChIInChI=1S/C7H8ClNS/c1-9(10)7-5-3-2-4-6(7)8/h2-5,10H,1H3
InChIKeyGVTYTZBYRNYECE-UHFFFAOYSA-N
XLogP2.62
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.67
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-chlorophenyl)-N-methylhydroxylamine
CID 87898260
ethane;N,N,2-trichloroaniline
CID 90006156
N-(2-chlorophenyl)-N-methylazetidin-3-amine
CID 105450392
N,N,2-trichloroaniline;hydrochloride
CID 88693018
1-(2-chlorophenyl)-3-methyl-1-sulfanylurea
CID 88795277
S-chloro N-(2-chlorophenyl)-N-methylcarbamothioate
CID 12957837
N-(2-chlorophenyl)-1-cyano-N-methylmethanethioamide
CID 131854279
(2-chloro-N-methylanilino) hydrogen sulfite
CID 174954708
(2-chloro-N-methylanilino) sulfite
CID 174954707
N-(2-chlorophenyl)-N-methylbutanamide
CID 12936039
N-(2-chlorophenyl)-N,1-dimethylpiperidin-4-amine
CID 110454576
3-chloro-2-fluoro-N,N-dimethylaniline
CID 138495185

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-N-methylthiohydroxylamine?
The IUPAC name of N-(2-chlorophenyl)-N-methylthiohydroxylamine (CID 89048584) is N-(2-chlorophenyl)-N-methylthiohydroxylamine.
What is the SMILES notation for N-(2-chlorophenyl)-N-methylthiohydroxylamine?
The canonical SMILES for N-(2-chlorophenyl)-N-methylthiohydroxylamine is CN(S)c1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-N-methylthiohydroxylamine?
The InChIKey is GVTYTZBYRNYECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNS/c1-9(10)7-5-3-2-4-6(7)8/h2-5,10H,1H3.
What are the key properties of N-(2-chlorophenyl)-N-methylthiohydroxylamine?
N-(2-chlorophenyl)-N-methylthiohydroxylamine has a molecular weight of 173.67 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-N-methylthiohydroxylamine is sourced from PubChem (CID 89048584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).