dimethyl N,N'-dihydroxyethanediimidothioate

C4H8N2O2S2 — CID 135492735

IUPACdimethyl N,N'-dihydroxyethanediimidothioate
SMILESCSC(=NO)C(=NO)SC
InChIInChI=1S/C4H8N2O2S2/c1-9-3(5-7)4(6-8)10-2/h7-8H,1-2H3
InChIKeyRIVVKXGSPZGDFF-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.29
Rot. Bonds

About dimethyl N,N'-dihydroxyethanediimidothioate

dimethyl N,N'-dihydroxyethanediimidothioate (PubChem CID 135492735) has the molecular formula C4H8N2O2S2 and a molecular weight of 180.25 g/mol. Its IUPAC name is dimethyl N,N'-dihydroxyethanediimidothioate.

Molecular Properties

Compound Namedimethyl N,N'-dihydroxyethanediimidothioate
PubChem CID135492735
Molecular FormulaC4H8N2O2S2
Molecular Weight180.25 g/mol
Exact Mass180.00
IUPAC Namedimethyl N,N'-dihydroxyethanediimidothioate
SMILESCSC(=NO)C(=NO)SC
InChIInChI=1S/C4H8N2O2S2/c1-9-3(5-7)4(6-8)10-2/h7-8H,1-2H3
InChIKeyRIVVKXGSPZGDFF-UHFFFAOYSA-N
XLogP1.29
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl N,N'-dihydroxyethanediimidothioate?
The IUPAC name of dimethyl N,N'-dihydroxyethanediimidothioate (CID 135492735) is dimethyl N,N'-dihydroxyethanediimidothioate.
What is the SMILES notation for dimethyl N,N'-dihydroxyethanediimidothioate?
The canonical SMILES for dimethyl N,N'-dihydroxyethanediimidothioate is CSC(=NO)C(=NO)SC.
What is the InChIKey of dimethyl N,N'-dihydroxyethanediimidothioate?
The InChIKey is RIVVKXGSPZGDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O2S2/c1-9-3(5-7)4(6-8)10-2/h7-8H,1-2H3.
What are the key properties of dimethyl N,N'-dihydroxyethanediimidothioate?
dimethyl N,N'-dihydroxyethanediimidothioate has a molecular weight of 180.25 g/mol, XLogP of 1.29, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl N,N'-dihydroxyethanediimidothioate is sourced from PubChem (CID 135492735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).