chempirical

Di-allate

C10H17Cl2NOSCAS 2303-16-4270.21 g/mol

Open in Covalent MOL file
NOSClCl
AlkeneSulfideVinyl halide

Properties

Molecular formula
C10H17Cl2NOS
Molar mass
270.21 g/mol
Exact mass
269.0408 Da
Density
1.188 g/mL (at 25 °C)
Melting point
25–30 °C
Boiling point
150 °C (at 9 Torr)
logP
4.28Crippen estimate
Polar surface area
20.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

Identifiers

CAS number
2303-16-4
SMILES
CC(C)N(C(=O)SCC(Cl)=CCl)C(C)C
InChIKey
SPANOECCGNXGNR-UHFFFAOYSA-N
InChI
InChI=1S/C10H17Cl2NOS/c1-7(2)13(8(3)4)10(14)15-6-9(12)5-11/h5,7-8H,6H2,1-4H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

9 names
  • Carbamothioic acid, N,N-bis(1-methylethyl)-, S-(2,3-dichloro-2-propen-1-yl) ester
  • Carbamic acid, diisopropylthio-, S-(2,3-dichloroallyl) ester
  • Carbamothioic acid, bis(1-methylethyl)-, S-(2,3-dichloro-2-propenyl) ester
  • 2,3-DCDT
  • CP 15336
  • Avadex
  • 2,3-Dichloroallyl N,N-diisopropylthiolcarbamate
  • DATC
  • S-(2,3-Dichloroallyl) diisopropylthiocarbamate

Work with Di-allate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Triallate2303-17-558 % similar N,N-Bis(1-methylethyl)carbamic chloride19009-39-336 % similar 1,2,3-Trichloro-1-propene96-19-531 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook