N-methyl-N-(trichloromethyl)thiohydroxylamine

C2H4Cl3NS — CID 88816877

IUPACN-methyl-N-(trichloromethyl)thiohydroxylamine
SMILESCN(S)C(Cl)(Cl)Cl
InChIInChI=1S/C2H4Cl3NS/c1-6(7)2(3,4)5/h7H,1H3
InChIKeyBZBJXQVNEQDDIW-UHFFFAOYSA-N
MW180.49 g/mol
LogP2.09
Rot. Bonds

About N-methyl-N-(trichloromethyl)thiohydroxylamine

N-methyl-N-(trichloromethyl)thiohydroxylamine (PubChem CID 88816877) has the molecular formula C2H4Cl3NS and a molecular weight of 180.49 g/mol. Its IUPAC name is N-methyl-N-(trichloromethyl)thiohydroxylamine.

Molecular Properties

Compound NameN-methyl-N-(trichloromethyl)thiohydroxylamine
PubChem CID88816877
Molecular FormulaC2H4Cl3NS
Molecular Weight180.49 g/mol
Exact Mass178.91
IUPAC NameN-methyl-N-(trichloromethyl)thiohydroxylamine
SMILESCN(S)C(Cl)(Cl)Cl
InChIInChI=1S/C2H4Cl3NS/c1-6(7)2(3,4)5/h7H,1H3
InChIKeyBZBJXQVNEQDDIW-UHFFFAOYSA-N
XLogP2.09
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.49
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N,1,1,1-tetrachloro-N-methylmethanamine
CID 174863987
N,N-dimethylthiohydroxylamine
CID 18780471
N-[chloro(trichloromethyl)phosphanyl]-N-methylmethanamine
CID 2785258
4-chloro-N,N,4-trimethylpentan-1-amine
CID 2780460
1-chloro-1-(dimethylamino)butan-1-ol
CID 88807122
1,1-dimethylhydrazine
CID 5976
trichloro(chloro)methane
CID 102463068
N,N-dichlorothiohydroxylamine
CID 86007206
4-chloro-2-[(4-chloro-2-sulfanylbutan-2-yl)-methylamino]butane-2-thiol;hydrochloride
CID 23621544
N,N-dimethylformamide;1,1,1,2,2,2-hexachloroethane
CID 174821411
pentyl(trichloromethyl)carbamothioic S-acid
CID 88778299
2-N',2-N'-dimethylpropane-2,2-diamine
CID 15097057

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(trichloromethyl)thiohydroxylamine?
The IUPAC name of N-methyl-N-(trichloromethyl)thiohydroxylamine (CID 88816877) is N-methyl-N-(trichloromethyl)thiohydroxylamine.
What is the SMILES notation for N-methyl-N-(trichloromethyl)thiohydroxylamine?
The canonical SMILES for N-methyl-N-(trichloromethyl)thiohydroxylamine is CN(S)C(Cl)(Cl)Cl.
What is the InChIKey of N-methyl-N-(trichloromethyl)thiohydroxylamine?
The InChIKey is BZBJXQVNEQDDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4Cl3NS/c1-6(7)2(3,4)5/h7H,1H3.
What are the key properties of N-methyl-N-(trichloromethyl)thiohydroxylamine?
N-methyl-N-(trichloromethyl)thiohydroxylamine has a molecular weight of 180.49 g/mol, XLogP of 2.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(trichloromethyl)thiohydroxylamine is sourced from PubChem (CID 88816877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).