dimethyl (1E,2Z)-N,N'-dihydroxyethanediimidothioate

C4H8N2O2S2 — CID 136866772

IUPACdimethyl (1E,2Z)-N,N'-dihydroxyethanediimidothioate
SMILESCSC(=N\O)/C(=N\O)SC
InChIInChI=1S/C4H8N2O2S2/c1-9-3(5-7)4(6-8)10-2/h7-8H,1-2H3/b5-3-,6-4+
InChIKeyRIVVKXGSPZGDFF-CIIODKQPSA-N
MW180.25 g/mol
LogP1.29
Rot. Bonds

About dimethyl (1E,2Z)-N,N'-dihydroxyethanediimidothioate

dimethyl (1E,2Z)-N,N'-dihydroxyethanediimidothioate (PubChem CID 136866772) has the molecular formula C4H8N2O2S2 and a molecular weight of 180.25 g/mol. Its IUPAC name is dimethyl (1E,2Z)-N,N'-dihydroxyethanediimidothioate.

Molecular Properties

Compound Namedimethyl (1E,2Z)-N,N'-dihydroxyethanediimidothioate
PubChem CID136866772
Molecular FormulaC4H8N2O2S2
Molecular Weight180.25 g/mol
Exact Mass180.00
IUPAC Namedimethyl (1E,2Z)-N,N'-dihydroxyethanediimidothioate
SMILESCSC(=N\O)/C(=N\O)SC
InChIInChI=1S/C4H8N2O2S2/c1-9-3(5-7)4(6-8)10-2/h7-8H,1-2H3/b5-3-,6-4+
InChIKeyRIVVKXGSPZGDFF-CIIODKQPSA-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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Related Compounds

dimethyl N,N'-dihydroxyethanediimidothioate
CID 135492735
methyl (1E)-2-(dimethylamino)-N-hydroxy-2-oxoethanimidothioate;methylimino(oxo)methane;molecular iodine
CID 172919861
methyl 1-cyano-N-hydroxymethanimidothioate
CID 88821258
methyl 2-amino-N-iodo-2-oxoethanimidothioate
CID 163983413
2-ethylimino-2-methylsulfanylacetic acid
CID 87606633
methyl ethanedithioate;yttrium
CID 58035958
methyl carbamodithioate;silver
CID 174849393
methyl 2-ethylsulfanyl-N-methylprop-2-enimidothioate
CID 4059466
N-(3-methyl-3-methylsulfanylbutan-2-ylidene)hydroxylamine
CID 71352723
methyl N'-carbamothioylcarbamimidothioate
CID 11744796
methyl N-(butan-2-ylideneamino)carbamodithioate
CID 3501146
sodium N-propan-2-ylidenehydroxylamine
CID 19068199

Frequently Asked Questions

What is the IUPAC name of dimethyl (1E,2Z)-N,N'-dihydroxyethanediimidothioate?
The IUPAC name of dimethyl (1E,2Z)-N,N'-dihydroxyethanediimidothioate (CID 136866772) is dimethyl (1E,2Z)-N,N'-dihydroxyethanediimidothioate.
What is the SMILES notation for dimethyl (1E,2Z)-N,N'-dihydroxyethanediimidothioate?
The canonical SMILES for dimethyl (1E,2Z)-N,N'-dihydroxyethanediimidothioate is CSC(=N\O)/C(=N\O)SC.
What is the InChIKey of dimethyl (1E,2Z)-N,N'-dihydroxyethanediimidothioate?
The InChIKey is RIVVKXGSPZGDFF-CIIODKQPSA-N. The full InChI is InChI=1S/C4H8N2O2S2/c1-9-3(5-7)4(6-8)10-2/h7-8H,1-2H3/b5-3-,6-4+.
What are the key properties of dimethyl (1E,2Z)-N,N'-dihydroxyethanediimidothioate?
dimethyl (1E,2Z)-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 (1E,2Z)-N,N'-dihydroxyethanediimidothioate is sourced from PubChem (CID 136866772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).