(hydrazinylsulfanylcarbothioylamino) propanoate

C4H9N3O2S2 — CID 175120973

IUPAC(hydrazinylsulfanylcarbothioylamino) propanoate
SMILESCCC(=O)ONC(=S)SNN
InChIInChI=1S/C4H9N3O2S2/c1-2-3(8)9-6-4(10)11-7-5/h7H,2,5H2,1H3,(H,6,10)
InChIKeyHCVIZVSKLJENLU-UHFFFAOYSA-N
MW195.27 g/mol
LogP-0.16
Rot. Bonds2

About (hydrazinylsulfanylcarbothioylamino) propanoate

(hydrazinylsulfanylcarbothioylamino) propanoate (PubChem CID 175120973) has the molecular formula C4H9N3O2S2 and a molecular weight of 195.27 g/mol. Its IUPAC name is (hydrazinylsulfanylcarbothioylamino) propanoate.

Molecular Properties

Compound Name(hydrazinylsulfanylcarbothioylamino) propanoate
PubChem CID175120973
Molecular FormulaC4H9N3O2S2
Molecular Weight195.27 g/mol
Exact Mass195.01
IUPAC Name(hydrazinylsulfanylcarbothioylamino) propanoate
SMILESCCC(=O)ONC(=S)SNN
InChIInChI=1S/C4H9N3O2S2/c1-2-3(8)9-6-4(10)11-7-5/h7H,2,5H2,1H3,(H,6,10)
InChIKeyHCVIZVSKLJENLU-UHFFFAOYSA-N
XLogP-0.16
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(prop-1-en-2-ylamino) propanoate
CID 57193180
[[(2S)-2-hydroxypropanoyl]amino] propanoate
CID 176961692
(2-aminopropanoylamino) propanoate
CID 146291069
disodium;hydride;(propanoyloxyamino) propanoate
CID 175458235
[(2-methylpropan-2-yl)oxycarbonylamino] propanoate;hydrochloride
CID 23087927
(2-ethylhydrazinyl) propanoate
CID 140581443
(phosphorosoamino) propanoate
CID 134211328
propanoyl (113C)propanoate
CID 91179573
CID 87773794
CID 87773794
methyl propanoate;dihydrochloride
CID 140968159
[[(2S)-2-amino-3-(dimethylamino)propanoyl]amino] propanoate
CID 174817609
(cyclohexylcarbamoylamino) propanoate
CID 57029614

Frequently Asked Questions

What is the IUPAC name of (hydrazinylsulfanylcarbothioylamino) propanoate?
The IUPAC name of (hydrazinylsulfanylcarbothioylamino) propanoate (CID 175120973) is (hydrazinylsulfanylcarbothioylamino) propanoate.
What is the SMILES notation for (hydrazinylsulfanylcarbothioylamino) propanoate?
The canonical SMILES for (hydrazinylsulfanylcarbothioylamino) propanoate is CCC(=O)ONC(=S)SNN.
What is the InChIKey of (hydrazinylsulfanylcarbothioylamino) propanoate?
The InChIKey is HCVIZVSKLJENLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3O2S2/c1-2-3(8)9-6-4(10)11-7-5/h7H,2,5H2,1H3,(H,6,10).
What are the key properties of (hydrazinylsulfanylcarbothioylamino) propanoate?
(hydrazinylsulfanylcarbothioylamino) propanoate has a molecular weight of 195.27 g/mol, XLogP of -0.16, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (hydrazinylsulfanylcarbothioylamino) propanoate is sourced from PubChem (CID 175120973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).