4-amino-1,2,5-thiadiazole-3-carboxylic acid - CAS 2829-58-5

Catalog:	BB019803
Product Name:	4-amino-1,2,5-thiadiazole-3-carboxylic acid
CAS:	2829-58-5
Synonyms:	4-amino-1,2,5-thiadiazole-3-carboxylic acid; 4-amino-1,2,5-thiadiazole-3-carboxylic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-amino-1,2,5-thiadiazole-3-carboxylic acid
Description:	4-amino-1,2,5-thiadiazole-3-carboxylic acid (CAS# 2829-58-5) is a useful research chemical.
Molecular Weight:	145.136
Molecular Formula:	C3H3N3O2S
Canonical SMILES:	C1(=NSN=C1N)C(=O)O
InChI:	InChI=1S/C3H3N3O2S/c4-2-1(3(7)8)5-9-6-2/h(H2,4,6)(H,7,8)
InChI Key:	OJMKAQZLZNNVTG-UHFFFAOYSA-N
Boiling Point:	374.6 °C at 760 mmHg
Density:	1.81 g/cm³
MDL:	MFCD00718830
LogP:	0.39970

Publication Number	Title	Priority Date
US-2021323960-A1	Fused tri-cyclic compound as pde3/pde4 dual inhibitor	20180713
EP-3535259-A1	Substituted n-hydroxyamidinoheterocycles as modulators of indoleamine 2,3- dioxygenase	20161103
TW-201819362-A	Substituted N-hydroxyformamido heterocyclic compound as a guanamine 2,3-dioxygen modulator	20161103
US-2019292160-A1	Substituted n-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase	20161103
WO-2018083241-A1	Substituted n-hydroxyamidinoheterocycles as modulators of indoleamine 2,3- dioxygenase	20161103

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Related Functional Groups

Oxadiazole/Thiadiazole

[1170931-46-0]
Ethyl 3-((3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl)-1,2,4-oxadiazole-5-carboxylate
[1170802-11-5]
Ethyl 3-((4-chloro-1H-pyrazol-1-yl)methyl)-1,2,4-oxadiazole-5-carboxylate
[956263-70-0]
Ethyl 3-((4-Iodo-1H-Pyrazol-1-Yl)Methyl)-1,2,4-Oxadiazole-5-Carboxylate
[1170088-37-5]
Ethyl 3-(2-(1H-pyrazol-1-yl)propyl)-1,2,4-oxadiazole-5-carboxylate
[1171327-12-0]
Ethyl 3-(2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl)-1,2,4-oxadiazole-5-carboxylate
[261626-93-1]
Ethyl 3-(2-thienyl)-1,2,4-oxadiazole-5-carboxylate

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	130
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	144.99459752
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	144.99459752
Rotatable Bond Count:	1
Topological Polar Surface Area:	117 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4