S-[(2,6-dichlorophenyl)methyl] N,N-dimethylcarbamothioate

C10H11Cl2NOS — CID 19418232

IUPACS-[(2,6-dichlorophenyl)methyl] N,N-dimethylcarbamothioate
SMILESCN(C)C(=O)SCc1c(Cl)cccc1Cl
InChIInChI=1S/C10H11Cl2NOS/c1-13(2)10(14)15-6-7-8(11)4-3-5-9(7)12/h3-5H,6H2,1-2H3
InChIKeyWHTDJASFZPOIOX-UHFFFAOYSA-N
MW264.18 g/mol
LogP3.91
Rot. Bonds2

About S-[(2,6-dichlorophenyl)methyl] N,N-dimethylcarbamothioate

S-[(2,6-dichlorophenyl)methyl] N,N-dimethylcarbamothioate (PubChem CID 19418232) has the molecular formula C10H11Cl2NOS and a molecular weight of 264.18 g/mol. Its IUPAC name is S-[(2,6-dichlorophenyl)methyl] N,N-dimethylcarbamothioate.

Molecular Properties

Compound NameS-[(2,6-dichlorophenyl)methyl] N,N-dimethylcarbamothioate
PubChem CID19418232
Molecular FormulaC10H11Cl2NOS
Molecular Weight264.18 g/mol
Exact Mass262.99
IUPAC NameS-[(2,6-dichlorophenyl)methyl] N,N-dimethylcarbamothioate
SMILESCN(C)C(=O)SCc1c(Cl)cccc1Cl
InChIInChI=1S/C10H11Cl2NOS/c1-13(2)10(14)15-6-7-8(11)4-3-5-9(7)12/h3-5H,6H2,1-2H3
InChIKeyWHTDJASFZPOIOX-UHFFFAOYSA-N
XLogP3.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.18
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Thiobencarb
CID 34192
Orbencarb
CID 36867
2,6-Dichlorobenzyl thiocyanate
CID 82034
2-[(2,6-dichlorobenzyl)thio]-N-methylacetamide
CID 894324
2-[(2,6-dichlorobenzyl)sulfanyl]-N,N-dimethylacetamide
CID 900355
S-(4-Chlorobenzyl)-N,N-dimethylthiocarbamate
CID 186173
(2,4-dichlorophenyl)methyl N,N-dimethylcarbamodithioate
CID 230261
Te-[(Z)-2-(2,6-dichlorophenyl)ethenyl] N,N-dimethylcarbamotelluroate
CID 134895571
Carbamothioic acid, ethenylethyl-,S-((2-chlorophenyl)methyl) ester
CID 190492
3-(2,4-Dichlorobenzylthio)-N,N-diethyl-propylamine hydrochloride
CID 3031212
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N,N-dimethylacetamide
CID 4285696
S-[(4-chlorophenyl)methyl] N-methylcarbamothioate
CID 235034

Frequently Asked Questions

What is the IUPAC name of S-[(2,6-dichlorophenyl)methyl] N,N-dimethylcarbamothioate?
The IUPAC name of S-[(2,6-dichlorophenyl)methyl] N,N-dimethylcarbamothioate (CID 19418232) is S-[(2,6-dichlorophenyl)methyl] N,N-dimethylcarbamothioate.
What is the SMILES notation for S-[(2,6-dichlorophenyl)methyl] N,N-dimethylcarbamothioate?
The canonical SMILES for S-[(2,6-dichlorophenyl)methyl] N,N-dimethylcarbamothioate is CN(C)C(=O)SCc1c(Cl)cccc1Cl.
What is the InChIKey of S-[(2,6-dichlorophenyl)methyl] N,N-dimethylcarbamothioate?
The InChIKey is WHTDJASFZPOIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NOS/c1-13(2)10(14)15-6-7-8(11)4-3-5-9(7)12/h3-5H,6H2,1-2H3.
What are the key properties of S-[(2,6-dichlorophenyl)methyl] N,N-dimethylcarbamothioate?
S-[(2,6-dichlorophenyl)methyl] N,N-dimethylcarbamothioate has a molecular weight of 264.18 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for S-[(2,6-dichlorophenyl)methyl] N,N-dimethylcarbamothioate is sourced from PubChem (CID 19418232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).