N,N'-bis(sulfanyl)oxamide;ethanol

C4H10N2O3S2 — CID 175121420

IUPACN,N'-bis(sulfanyl)oxamide;ethanol
SMILESCCO.O=C(NS)C(=O)NS
InChIInChI=1S/C2H4N2O2S2.C2H6O/c5-1(3-7)2(6)4-8;1-2-3/h7-8H,(H,3,5)(H,4,6);3H,2H2,1H3
InChIKeyDWDNOPOZHUNGFT-UHFFFAOYSA-N
MW198.27 g/mol
LogP-1.09
Rot. Bonds

About N,N'-bis(sulfanyl)oxamide;ethanol

N,N'-bis(sulfanyl)oxamide;ethanol (PubChem CID 175121420) has the molecular formula C4H10N2O3S2 and a molecular weight of 198.27 g/mol. Its IUPAC name is N,N'-bis(sulfanyl)oxamide;ethanol.

Molecular Properties

Compound NameN,N'-bis(sulfanyl)oxamide;ethanol
PubChem CID175121420
Molecular FormulaC4H10N2O3S2
Molecular Weight198.27 g/mol
Exact Mass198.01
IUPAC NameN,N'-bis(sulfanyl)oxamide;ethanol
SMILESCCO.O=C(NS)C(=O)NS
InChIInChI=1S/C2H4N2O2S2.C2H6O/c5-1(3-7)2(6)4-8;1-2-3/h7-8H,(H,3,5)(H,4,6);3H,2H2,1H3
InChIKeyDWDNOPOZHUNGFT-UHFFFAOYSA-N
XLogP-1.09
TPSA78.43 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-1.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N,N'-bis(sulfanyl)oxamide;ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-sulfanylbutanamide
CID 18680505
ethanol;oxalic acid
CID 172820699
azane;carbonic acid;ethanol
CID 173096974
2-hydroxy-N-sulfanylacetamide
CID 166739002
methanesulfonamide;N-methyl-N'-sulfanyloxamide
CID 146316765
ethanol;oxotitanium
CID 86198099
ethanol;methanol;propan-2-ol;propan-2-one
CID 159107328
magnesium;ethanol;carbonate
CID 159993357
ethanol;methyl acetate;propan-2-ol;hydrate
CID 174971510
ethanol iodide
CID 22987629
CID 11759588
CID 11759588
ethanol;palladium
CID 87368677

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(sulfanyl)oxamide;ethanol?
The IUPAC name of N,N'-bis(sulfanyl)oxamide;ethanol (CID 175121420) is N,N'-bis(sulfanyl)oxamide;ethanol.
What is the SMILES notation for N,N'-bis(sulfanyl)oxamide;ethanol?
The canonical SMILES for N,N'-bis(sulfanyl)oxamide;ethanol is CCO.O=C(NS)C(=O)NS.
What is the InChIKey of N,N'-bis(sulfanyl)oxamide;ethanol?
The InChIKey is DWDNOPOZHUNGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4N2O2S2.C2H6O/c5-1(3-7)2(6)4-8;1-2-3/h7-8H,(H,3,5)(H,4,6);3H,2H2,1H3.
What are the key properties of N,N'-bis(sulfanyl)oxamide;ethanol?
N,N'-bis(sulfanyl)oxamide;ethanol has a molecular weight of 198.27 g/mol, XLogP of -1.09, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(sulfanyl)oxamide;ethanol is sourced from PubChem (CID 175121420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).