N-(2-methoxyethyl)carbamodithioate;triethylazanium

C10H24N2OS2 — CID 87956830

IUPACN-(2-methoxyethyl)carbamodithioate;triethylazanium
SMILESCC[NH+](CC)CC.COCCNC(=S)[S-]
InChIInChI=1S/C6H15N.C4H9NOS2/c1-4-7(5-2)6-3;1-6-3-2-5-4(7)8/h4-6H2,1-3H3;2-3H2,1H3,(H2,5,7,8)
InChIKeyJVWDAXREUKCNHU-UHFFFAOYSA-N
MW252.45 g/mol
LogP-0.01
Rot. Bonds6

About N-(2-methoxyethyl)carbamodithioate;triethylazanium

N-(2-methoxyethyl)carbamodithioate;triethylazanium (PubChem CID 87956830) has the molecular formula C10H24N2OS2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N-(2-methoxyethyl)carbamodithioate;triethylazanium.

Molecular Properties

Compound NameN-(2-methoxyethyl)carbamodithioate;triethylazanium
PubChem CID87956830
Molecular FormulaC10H24N2OS2
Molecular Weight252.45 g/mol
Exact Mass252.13
IUPAC NameN-(2-methoxyethyl)carbamodithioate;triethylazanium
SMILESCC[NH+](CC)CC.COCCNC(=S)[S-]
InChIInChI=1S/C6H15N.C4H9NOS2/c1-4-7(5-2)6-3;1-6-3-2-5-4(7)8/h4-6H2,1-3H3;2-3H2,1H3,(H2,5,7,8)
InChIKeyJVWDAXREUKCNHU-UHFFFAOYSA-N
XLogP-0.01
TPSA25.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

Oxamide, N,N'-bis(2-methoxyethyl)dithio-
CID 3032813
2-ethoxyethylcarbamothioylsulfanyl N-(2-ethoxyethyl)carbamodithioate
CID 168679312
Bis(2-methoxyathylthiocarbamoyl)-disulfid
CID 129629798
Triethylammonium 2-vinyloxyethylcarbamodithioate
CID 129771124
Triethylammonium ethyl xanthate
CID 129810947
Morpholine-4-carbodithioate;triethylazanium
CID 139214251
N,N-diethylethanamine;2-hydroxyethylcarbamodithioic acid
CID 13514435
2-Methoxyethylcarbamodithioic acid
CID 17977460
Trimethyl-[2-(methylcarbamothioyloxy)ethyl]azanium
CID 18341873
N-(2-methoxyethyl)ethanethioamide
CID 20696570
1,7-Dioxa-4,10-diazacyclododecane-4-carbodithioic acid
CID 21026653
N-(2-hydroxyethyl)carbamodithioate;triethylazanium
CID 22766663

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)carbamodithioate;triethylazanium?
The IUPAC name of N-(2-methoxyethyl)carbamodithioate;triethylazanium (CID 87956830) is N-(2-methoxyethyl)carbamodithioate;triethylazanium.
What is the SMILES notation for N-(2-methoxyethyl)carbamodithioate;triethylazanium?
The canonical SMILES for N-(2-methoxyethyl)carbamodithioate;triethylazanium is CC[NH+](CC)CC.COCCNC(=S)[S-].
What is the InChIKey of N-(2-methoxyethyl)carbamodithioate;triethylazanium?
The InChIKey is JVWDAXREUKCNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C4H9NOS2/c1-4-7(5-2)6-3;1-6-3-2-5-4(7)8/h4-6H2,1-3H3;2-3H2,1H3,(H2,5,7,8).
What are the key properties of N-(2-methoxyethyl)carbamodithioate;triethylazanium?
N-(2-methoxyethyl)carbamodithioate;triethylazanium has a molecular weight of 252.45 g/mol, XLogP of -0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)carbamodithioate;triethylazanium is sourced from PubChem (CID 87956830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).