2-[2-[[2-(1-ethoxyethenylsulfanyl)ethanethioyl]amino]ethoxy]prop-2-enyl N-ethylcarbamodithioate

C14H24N2O2S4 — CID 134182916

IUPAC2-[2-[[2-(1-ethoxyethenylsulfanyl)ethanethioyl]amino]ethoxy]prop-2-enyl N-ethylcarbamodithioate
SMILESC=C(CSC(=S)NCC)OCCNC(=S)CSC(=C)OCC
InChIInChI=1S/C14H24N2O2S4/c1-5-15-14(20)22-9-11(3)18-8-7-16-13(19)10-21-12(4)17-6-2/h3-10H2,1-2H3,(H,15,20)(H,16,19)
InChIKeyCUNPHRLPDTZZHK-UHFFFAOYSA-N
MW380.63 g/mol
LogP3.30
Rot. Bonds12

About 2-[2-[[2-(1-ethoxyethenylsulfanyl)ethanethioyl]amino]ethoxy]prop-2-enyl N-ethylcarbamodithioate

2-[2-[[2-(1-ethoxyethenylsulfanyl)ethanethioyl]amino]ethoxy]prop-2-enyl N-ethylcarbamodithioate (PubChem CID 134182916) has the molecular formula C14H24N2O2S4 and a molecular weight of 380.63 g/mol. Its IUPAC name is 2-[2-[[2-(1-ethoxyethenylsulfanyl)ethanethioyl]amino]ethoxy]prop-2-enyl N-ethylcarbamodithioate.

Molecular Properties

Compound Name2-[2-[[2-(1-ethoxyethenylsulfanyl)ethanethioyl]amino]ethoxy]prop-2-enyl N-ethylcarbamodithioate
PubChem CID134182916
Molecular FormulaC14H24N2O2S4
Molecular Weight380.63 g/mol
Exact Mass380.07
IUPAC Name2-[2-[[2-(1-ethoxyethenylsulfanyl)ethanethioyl]amino]ethoxy]prop-2-enyl N-ethylcarbamodithioate
SMILESC=C(CSC(=S)NCC)OCCNC(=S)CSC(=C)OCC
InChIInChI=1S/C14H24N2O2S4/c1-5-15-14(20)22-9-11(3)18-8-7-16-13(19)10-21-12(4)17-6-2/h3-10H2,1-2H3,(H,15,20)(H,16,19)
InChIKeyCUNPHRLPDTZZHK-UHFFFAOYSA-N
XLogP3.30
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.63
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

ethyl N-ethylcarbamodithioate;indigane
CID 175125102
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CID 166748918
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CID 113218404
1-ethyl-3-[2-(2-methylpropoxy)ethyl]thiourea
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ethyl (2R)-3-(ethylamino)-2-methyl-3-sulfanylidenepropanoate
CID 97178563
[4-(ethylcarbamothioylsulfanylmethyl)phenyl]methyl N-ethylcarbamodithioate
CID 19910001
1-O-ethyl 2-O-[2-(2-methylprop-2-enoylamino)ethyl] oxalate
CID 118147420
methylsulfanyl N-ethylcarbamodithioate
CID 19838567
[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl N-ethylcarbamodithioate
CID 101002617
ethane;ethyl N-(2-propoxyethyl)carbamate
CID 167457488
2-(ethylcarbamoylamino)ethyl 2-methylpropanoate
CID 71876541
ethyl 4-(2-propoxyethylamino)piperidine-1-carboxylate
CID 106451480

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(1-ethoxyethenylsulfanyl)ethanethioyl]amino]ethoxy]prop-2-enyl N-ethylcarbamodithioate?
The IUPAC name of 2-[2-[[2-(1-ethoxyethenylsulfanyl)ethanethioyl]amino]ethoxy]prop-2-enyl N-ethylcarbamodithioate (CID 134182916) is 2-[2-[[2-(1-ethoxyethenylsulfanyl)ethanethioyl]amino]ethoxy]prop-2-enyl N-ethylcarbamodithioate.
What is the SMILES notation for 2-[2-[[2-(1-ethoxyethenylsulfanyl)ethanethioyl]amino]ethoxy]prop-2-enyl N-ethylcarbamodithioate?
The canonical SMILES for 2-[2-[[2-(1-ethoxyethenylsulfanyl)ethanethioyl]amino]ethoxy]prop-2-enyl N-ethylcarbamodithioate is C=C(CSC(=S)NCC)OCCNC(=S)CSC(=C)OCC.
What is the InChIKey of 2-[2-[[2-(1-ethoxyethenylsulfanyl)ethanethioyl]amino]ethoxy]prop-2-enyl N-ethylcarbamodithioate?
The InChIKey is CUNPHRLPDTZZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S4/c1-5-15-14(20)22-9-11(3)18-8-7-16-13(19)10-21-12(4)17-6-2/h3-10H2,1-2H3,(H,15,20)(H,16,19).
What are the key properties of 2-[2-[[2-(1-ethoxyethenylsulfanyl)ethanethioyl]amino]ethoxy]prop-2-enyl N-ethylcarbamodithioate?
2-[2-[[2-(1-ethoxyethenylsulfanyl)ethanethioyl]amino]ethoxy]prop-2-enyl N-ethylcarbamodithioate has a molecular weight of 380.63 g/mol, XLogP of 3.30, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(1-ethoxyethenylsulfanyl)ethanethioyl]amino]ethoxy]prop-2-enyl N-ethylcarbamodithioate is sourced from PubChem (CID 134182916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).