N-ethyl-N,N'-bis(sulfanylmethyl)ethanimidamide

C6H14N2S2 — CID 164812846

IUPACN-ethyl-N,N'-bis(sulfanylmethyl)ethanimidamide
SMILESCCN(CS)/C(C)=N\CS
InChIInChI=1S/C6H14N2S2/c1-3-8(5-10)6(2)7-4-9/h9-10H,3-5H2,1-2H3/b7-6-
InChIKeyWVIZUPGGLPZCTA-SREVYHEPSA-N
MW178.33 g/mol
LogP1.50
Rot. Bonds3

About N-ethyl-N,N'-bis(sulfanylmethyl)ethanimidamide

N-ethyl-N,N'-bis(sulfanylmethyl)ethanimidamide (PubChem CID 164812846) has the molecular formula C6H14N2S2 and a molecular weight of 178.33 g/mol. Its IUPAC name is N-ethyl-N,N'-bis(sulfanylmethyl)ethanimidamide.

Molecular Properties

Compound NameN-ethyl-N,N'-bis(sulfanylmethyl)ethanimidamide
PubChem CID164812846
Molecular FormulaC6H14N2S2
Molecular Weight178.33 g/mol
Exact Mass178.06
IUPAC NameN-ethyl-N,N'-bis(sulfanylmethyl)ethanimidamide
SMILESCCN(CS)/C(C)=N\CS
InChIInChI=1S/C6H14N2S2/c1-3-8(5-10)6(2)7-4-9/h9-10H,3-5H2,1-2H3/b7-6-
InChIKeyWVIZUPGGLPZCTA-SREVYHEPSA-N
XLogP1.50
TPSA15.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.33
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N,N'-diethyl-N-(ethylsulfanylmethyl)ethanimidamide
CID 123463688
N,N-diethyl-N'-(pentafluoro-lambda6-sulfanyl)ethanimidamide
CID 5365263
1-N,1-N,1-N',1-N',2-N,2-N,2-N',2-N'-octaethylethene-1,1,2,2-tetramine
CID 101365533
N,N-diethylpropanethioamide
CID 638150
CID 172733213
CID 172733213
diethylcarbamodithioic acid;lanthanum
CID 174709287
alumane;diethylcarbamodithioic acid
CID 174602064
copper;diethylcarbamothioic S-acid
CID 175552190
diethylcarbamodithioic acid;molybdenum
CID 159441063
nickel;bis(1-N,1-N,2-N,2-N-tetraethyl-1-N',2-N'-dihydroxyethanediimidamide)
CID 135534845
CID 157101395
CID 157101395
acetic acid;N,N-diethylacetamide
CID 174447974

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N,N'-bis(sulfanylmethyl)ethanimidamide?
The IUPAC name of N-ethyl-N,N'-bis(sulfanylmethyl)ethanimidamide (CID 164812846) is N-ethyl-N,N'-bis(sulfanylmethyl)ethanimidamide.
What is the SMILES notation for N-ethyl-N,N'-bis(sulfanylmethyl)ethanimidamide?
The canonical SMILES for N-ethyl-N,N'-bis(sulfanylmethyl)ethanimidamide is CCN(CS)/C(C)=N\CS.
What is the InChIKey of N-ethyl-N,N'-bis(sulfanylmethyl)ethanimidamide?
The InChIKey is WVIZUPGGLPZCTA-SREVYHEPSA-N. The full InChI is InChI=1S/C6H14N2S2/c1-3-8(5-10)6(2)7-4-9/h9-10H,3-5H2,1-2H3/b7-6-.
What are the key properties of N-ethyl-N,N'-bis(sulfanylmethyl)ethanimidamide?
N-ethyl-N,N'-bis(sulfanylmethyl)ethanimidamide has a molecular weight of 178.33 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,N'-bis(sulfanylmethyl)ethanimidamide is sourced from PubChem (CID 164812846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).