N-ethanethioyl-N-sulfidoethanethioamide

C4H6NS3- — CID 141485229

IUPACN-ethanethioyl-N-sulfidoethanethioamide
SMILESCC(=S)N([S-])C(C)=S
InChIInChI=1S/C4H6NS3/c1-3(6)5(8)4(2)7/h1-2H3/q-1
InChIKeyNALJCLNQJPVEMN-UHFFFAOYSA-N
MW164.30 g/mol
LogP1.44
Rot. Bonds

About N-ethanethioyl-N-sulfidoethanethioamide

N-ethanethioyl-N-sulfidoethanethioamide (PubChem CID 141485229) has the molecular formula C4H6NS3- and a molecular weight of 164.30 g/mol. Its IUPAC name is N-ethanethioyl-N-sulfidoethanethioamide.

Molecular Properties

Compound NameN-ethanethioyl-N-sulfidoethanethioamide
PubChem CID141485229
Molecular FormulaC4H6NS3-
Molecular Weight164.30 g/mol
Exact Mass163.97
IUPAC NameN-ethanethioyl-N-sulfidoethanethioamide
SMILESCC(=S)N([S-])C(C)=S
InChIInChI=1S/C4H6NS3/c1-3(6)5(8)4(2)7/h1-2H3/q-1
InChIKeyNALJCLNQJPVEMN-UHFFFAOYSA-N
XLogP1.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.30
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethylethanethioamide;hydrazine
CID 159847458
N-chloro-N-propan-2-ylethanethioamide
CID 155426886
potassium ethanedithioate
CID 21335195
carbanide;ethanethioylazanide;yttrium
CID 58458948
N-methyl-N-(silylmethyl)ethanethioamide
CID 164985066
gallium;methanol;trichloride
CID 175440503
cobalt;bis(ethanethioic O-acid)
CID 178067462
N,N-dipropylethanethioamide
CID 19819320
CID 164812866
CID 164812866
di(ethanethioyl)-sulfidoazanium
CID 141485228
disodium bis(N,N-dimethylcarbamodithioate)
CID 160761819
tetrakis(N,N-dimethylcarbamodithioate);zirconium(4+)
CID 174384958

Frequently Asked Questions

What is the IUPAC name of N-ethanethioyl-N-sulfidoethanethioamide?
The IUPAC name of N-ethanethioyl-N-sulfidoethanethioamide (CID 141485229) is N-ethanethioyl-N-sulfidoethanethioamide.
What is the SMILES notation for N-ethanethioyl-N-sulfidoethanethioamide?
The canonical SMILES for N-ethanethioyl-N-sulfidoethanethioamide is CC(=S)N([S-])C(C)=S.
What is the InChIKey of N-ethanethioyl-N-sulfidoethanethioamide?
The InChIKey is NALJCLNQJPVEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6NS3/c1-3(6)5(8)4(2)7/h1-2H3/q-1.
What are the key properties of N-ethanethioyl-N-sulfidoethanethioamide?
N-ethanethioyl-N-sulfidoethanethioamide has a molecular weight of 164.30 g/mol, XLogP of 1.44, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethanethioyl-N-sulfidoethanethioamide is sourced from PubChem (CID 141485229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).