2-hydrazinylideneethyl carbamimidothioate

C3H8N4S — CID 171036739

IUPAC2-hydrazinylideneethyl carbamimidothioate
SMILES[H]/N=C(\N)SCC=NN
InChIInChI=1S/C3H8N4S/c4-3(5)8-2-1-7-6/h1H,2,6H2,(H3,4,5)
InChIKeyWVWJTNSUDLSMBD-UHFFFAOYSA-N
MW132.19 g/mol
LogP-0.44
Rot. Bonds2

About 2-hydrazinylideneethyl carbamimidothioate

2-hydrazinylideneethyl carbamimidothioate (PubChem CID 171036739) has the molecular formula C3H8N4S and a molecular weight of 132.19 g/mol. Its IUPAC name is 2-hydrazinylideneethyl carbamimidothioate.

Molecular Properties

Compound Name2-hydrazinylideneethyl carbamimidothioate
PubChem CID171036739
Molecular FormulaC3H8N4S
Molecular Weight132.19 g/mol
Exact Mass132.05
IUPAC Name2-hydrazinylideneethyl carbamimidothioate
SMILES[H]/N=C(\N)SCC=NN
InChIInChI=1S/C3H8N4S/c4-3(5)8-2-1-7-6/h1H,2,6H2,(H3,4,5)
InChIKeyWVWJTNSUDLSMBD-UHFFFAOYSA-N
XLogP-0.44
TPSA88.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.19
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(E)-4-methyliminobut-2-enyl] carbamimidothioate
CID 126757562
2-carbamimidoylsulfanylethyl carbamimidothioate dibromide
CID 21236844
(4-carbamimidoylsulfanyl-3-methylbut-2-enyl) carbamimidothioate;dihydrobromide
CID 131874736
2-methylsulfonylethyl carbamimidothioate
CID 3799956
prop-2-enoxymethyl carbamimidothioate
CID 166606970
6-hydroxyhexyl carbamimidothioate
CID 15370310
2-ethylsulfinylethyl carbamimidothioate
CID 2054872
6-(diaminomethylideneamino)hexyl carbamimidothioate;hydrobromide
CID 45263460
cyclopropylmethoxymethyl carbamimidothioate
CID 106931259
2-[7-(2-carbamimidoylsulfanylethyl)cyclododecyl]ethyl carbamimidothioate
CID 170227665
3-ethoxypropyl carbamimidothioate
CID 65212394
propan-2-yloxymethyl carbamimidothioate
CID 55288893

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinylideneethyl carbamimidothioate?
The IUPAC name of 2-hydrazinylideneethyl carbamimidothioate (CID 171036739) is 2-hydrazinylideneethyl carbamimidothioate.
What is the SMILES notation for 2-hydrazinylideneethyl carbamimidothioate?
The canonical SMILES for 2-hydrazinylideneethyl carbamimidothioate is [H]/N=C(\N)SCC=NN.
What is the InChIKey of 2-hydrazinylideneethyl carbamimidothioate?
The InChIKey is WVWJTNSUDLSMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N4S/c4-3(5)8-2-1-7-6/h1H,2,6H2,(H3,4,5).
What are the key properties of 2-hydrazinylideneethyl carbamimidothioate?
2-hydrazinylideneethyl carbamimidothioate has a molecular weight of 132.19 g/mol, XLogP of -0.44, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinylideneethyl carbamimidothioate is sourced from PubChem (CID 171036739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).