2-(2-diazohydrazinyl)-3-sulfanylpropanoic acid

C3H6N4O2S — CID 134588885

IUPAC2-(2-diazohydrazinyl)-3-sulfanylpropanoic acid
SMILES[N-]=[N+]=NNC(CS)C(=O)O
InChIInChI=1S/C3H6N4O2S/c4-6-7-5-2(1-10)3(8)9/h2,5,10H,1H2,(H,8,9)
InChIKeyBMPFBPARAFYNHP-UHFFFAOYSA-N
MW162.17 g/mol
LogP0.18
Rot. Bonds4

About 2-(2-diazohydrazinyl)-3-sulfanylpropanoic acid

2-(2-diazohydrazinyl)-3-sulfanylpropanoic acid (PubChem CID 134588885) has the molecular formula C3H6N4O2S and a molecular weight of 162.17 g/mol. Its IUPAC name is 2-(2-diazohydrazinyl)-3-sulfanylpropanoic acid.

Molecular Properties

Compound Name2-(2-diazohydrazinyl)-3-sulfanylpropanoic acid
PubChem CID134588885
Molecular FormulaC3H6N4O2S
Molecular Weight162.17 g/mol
Exact Mass162.02
IUPAC Name2-(2-diazohydrazinyl)-3-sulfanylpropanoic acid
SMILES[N-]=[N+]=NNC(CS)C(=O)O
InChIInChI=1S/C3H6N4O2S/c4-6-7-5-2(1-10)3(8)9/h2,5,10H,1H2,(H,8,9)
InChIKeyBMPFBPARAFYNHP-UHFFFAOYSA-N
XLogP0.18
TPSA98.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.17
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-(2-diazohydrazinyl)hexanoic acid
CID 89287539
(2S)-2-(2-diazohydrazinyl)-4-methylsulfanylbutanoic acid
CID 87221819
(2S)-2-(2-oxohydrazinyl)-3-sulfanylpropanoic acid
CID 21157216
(2S)-2-(2-oxohydrazinyl)-3-sulfanylpropanoic acid;thionitrous S-acid
CID 87687859
(2R)-2-(2-diazohydrazinyl)propanoic acid
CID 23623073
2-(2-diazohydrazinyl)-3-(3,4-dihydroxyphenyl)propanoic acid
CID 19107651
(2R)-2-(silylamino)-3-sulfanylpropanoic acid
CID 175735722
(2R)-2-(iodoamino)-3-sulfanylpropanoic acid
CID 142742192
(2R)-2-(phosphonoamino)-3-sulfanylpropanoic acid
CID 54499104
(2R)-2-[[[(1R)-1-carboxy-2-sulfanylethyl]amino]oxyamino]-3-sulfanylpropanoic acid
CID 166514845
(2R)-2-[2-(4-azido-2,3,5,6-tetrafluorophenyl)hydrazinyl]-3-sulfanylpropanoic acid
CID 118619927
(2S)-2-acetamido-3-sulfanylpropanoic acid;bis((2R)-2-acetamido-3-sulfanylpropanoic acid)
CID 87596071

Frequently Asked Questions

What is the IUPAC name of 2-(2-diazohydrazinyl)-3-sulfanylpropanoic acid?
The IUPAC name of 2-(2-diazohydrazinyl)-3-sulfanylpropanoic acid (CID 134588885) is 2-(2-diazohydrazinyl)-3-sulfanylpropanoic acid.
What is the SMILES notation for 2-(2-diazohydrazinyl)-3-sulfanylpropanoic acid?
The canonical SMILES for 2-(2-diazohydrazinyl)-3-sulfanylpropanoic acid is [N-]=[N+]=NNC(CS)C(=O)O.
What is the InChIKey of 2-(2-diazohydrazinyl)-3-sulfanylpropanoic acid?
The InChIKey is BMPFBPARAFYNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N4O2S/c4-6-7-5-2(1-10)3(8)9/h2,5,10H,1H2,(H,8,9).
What are the key properties of 2-(2-diazohydrazinyl)-3-sulfanylpropanoic acid?
2-(2-diazohydrazinyl)-3-sulfanylpropanoic acid has a molecular weight of 162.17 g/mol, XLogP of 0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-diazohydrazinyl)-3-sulfanylpropanoic acid is sourced from PubChem (CID 134588885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).