(2-ethenylphenyl)methyl N,N-diethylcarbamodithioate

C14H19NS2 — CID 71350969

IUPAC(2-ethenylphenyl)methyl N,N-diethylcarbamodithioate
SMILESC=Cc1ccccc1CSC(=S)N(CC)CC
InChIInChI=1S/C14H19NS2/c1-4-12-9-7-8-10-13(12)11-17-14(16)15(5-2)6-3/h4,7-10H,1,5-6,11H2,2-3H3
InChIKeyIFOXPCORZHHQBS-UHFFFAOYSA-N
MW265.45 g/mol
LogP4.19
Rot. Bonds5

About (2-ethenylphenyl)methyl N,N-diethylcarbamodithioate

(2-ethenylphenyl)methyl N,N-diethylcarbamodithioate (PubChem CID 71350969) has the molecular formula C14H19NS2 and a molecular weight of 265.45 g/mol. Its IUPAC name is (2-ethenylphenyl)methyl N,N-diethylcarbamodithioate.

Molecular Properties

Compound Name(2-ethenylphenyl)methyl N,N-diethylcarbamodithioate
PubChem CID71350969
Molecular FormulaC14H19NS2
Molecular Weight265.45 g/mol
Exact Mass265.10
IUPAC Name(2-ethenylphenyl)methyl N,N-diethylcarbamodithioate
SMILESC=Cc1ccccc1CSC(=S)N(CC)CC
InChIInChI=1S/C14H19NS2/c1-4-12-9-7-8-10-13(12)11-17-14(16)15(5-2)6-3/h4,7-10H,1,5-6,11H2,2-3H3
InChIKeyIFOXPCORZHHQBS-UHFFFAOYSA-N
XLogP4.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.45
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethenylphenyl)-N,N-diethylacetamide
CID 122394792
1,2-bis(ethenyl)benzene;1-ethenyl-2-ethylbenzene
CID 18622340
1,1'-biphenyl;ethyl N,N-diethylcarbamodithioate;bis(prop-2-enoic acid);hydrate
CID 174707846
[4-(hydroxymethyl)phenyl]methyl N,N-diethylcarbamodithioate
CID 110005187
2-phenylpropyl N,N-diethylcarbamodithioate
CID 150642296
1-(dodecylsulfanylmethyl)-2-ethenylbenzene
CID 70484511
1,2-diphenylethane-1,2-dione;1-ethenyl-2-ethylbenzene
CID 174766934
(5-oxo-2H-furan-3-yl)methyl N,N-diethylcarbamodithioate
CID 54582734
benzyl-[(2-ethenylphenyl)methyl]carbamic acid
CID 19037167
[3-(diethylcarbamothioylsulfanylmethyl)-2-sulfanylidenebenzimidazol-1-yl]methyl N,N-diethylcarbamodithioate
CID 3418359
(4-aminoquinazolin-2-yl)methyl N,N-diethylcarbamodithioate
CID 27914144
[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] N,N-diethylcarbamodithioate
CID 9490918

Frequently Asked Questions

What is the IUPAC name of (2-ethenylphenyl)methyl N,N-diethylcarbamodithioate?
The IUPAC name of (2-ethenylphenyl)methyl N,N-diethylcarbamodithioate (CID 71350969) is (2-ethenylphenyl)methyl N,N-diethylcarbamodithioate.
What is the SMILES notation for (2-ethenylphenyl)methyl N,N-diethylcarbamodithioate?
The canonical SMILES for (2-ethenylphenyl)methyl N,N-diethylcarbamodithioate is C=Cc1ccccc1CSC(=S)N(CC)CC.
What is the InChIKey of (2-ethenylphenyl)methyl N,N-diethylcarbamodithioate?
The InChIKey is IFOXPCORZHHQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NS2/c1-4-12-9-7-8-10-13(12)11-17-14(16)15(5-2)6-3/h4,7-10H,1,5-6,11H2,2-3H3.
What are the key properties of (2-ethenylphenyl)methyl N,N-diethylcarbamodithioate?
(2-ethenylphenyl)methyl N,N-diethylcarbamodithioate has a molecular weight of 265.45 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethenylphenyl)methyl N,N-diethylcarbamodithioate is sourced from PubChem (CID 71350969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).