Basic information
- CAS
53268-33-0- Standard SMILES
NC(=S)c1ccc(N)nc1- InChIKey
LCKBJNNMWMUYAB-UHFFFAOYSA-N- Molecular formula
- C6H7N3S
- Average molar mass
- 153.21 g/mol
- Monoisotopic mass
- 153.03606841
Names & identifiers
- Preferred name
- 6-Aminopyridine-3-thioamide
- IUPAC
- 6-aminopyridine-3-carbothioamide
- English name
- NSC306665
- Molecular formula
- C6H7N3S
- Molecular weight
- 153.2
Names & synonyms
6-Aminopyridine-3-thioamideRefChem:540376663-468-06-aminopyridine-3-carbothioamide53268-33-0NSC3066652-amino Pyridyl-5-thioamide2-aminopyridine-5-thiocarboxamideMFCD09932294orb2695313orb2695317SCHEMBL10725597
Show more names
6-AminothionicotinamideNSC306665 ISO 9001：2015 REACH6-Aminopyridine-3-thioamide 95%3-Pyridinecarbothioamide, 6-amino-2-Aminopyridine-5-thiocarboxamide, 97%
DTXSID403980396-Aminopyridine-3-thioamide, 95%AKOS000175714NSC-306665SB544726-aminopyridine-3-carboximidothioic acidPD021213CS-0258638
Database identifiers
- CAS
53268-33-0- PubChem CID
- 3931107
- DTXSID
DTXSID40398039- EC Number
- 663-468-0
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 97 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 137
Physicochemical properties
- Melting point
- 172 · 172-175℃
- Boiling point
- 351.3 · 351.3±52.0 °C(Predicted)
- Density
- 1.373 · 1.373±0.06 g/cm3(Predicted)
- solubility
- 20 mg/ml; · DMF: 20 mg/ml; DMSO: 20 mg/ml; DMSO:PBS (pH 7.2) (1:10): 0.1 mg/ml; Ethanol: 0.25 mg/ml
- form
- A crystalline solid
- pka
- 12.02 · 12.02±0.29(Predicted)
- InChI
- 1S/C6H7N3S/c7-5-2-1-4(3-9-5)6(8)10/h1-3H,(H2,7,9)(H2,8,10)
- InChIKey
- LCKBJNNMWMUYAB-UHFFFAOYSA-N
- SMILES
- NC(=S)c1ccc(N)nc1
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H317-H318
- Precautionary statements
- 280 · P280-P301+P310+P330-P302+P352-P305+P351+P338+P310
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- ridadr
- UN 2811 6.1 / PGIII
- risk_code
- 25-41-43
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06
- hazard_code
- T
- safety_code
- 26-36/37/39
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H301-H317-H318
- Hazard Classifications
- Acute Tox. 3 OralEye Dam. 1Skin Sens. 1
- Precautionary statements
- P280-P301+P310+P330-P302+P352-P305+P351+P338+P310
Chemistry & industry
Applications
Description2-amino Pyridyl-5-thioamide is a synthetic intermediate useful for pharmaceutical synthesis.
Uses6-Aminopyridine-3-thioamide is a compound with anti-tumor activity that can inhibit the activity of specific enzymes, thereby affecting cell proliferation and survival. 6-Aminopyridine-3-thioamide has also been studied for the inhibition of neurodegenerative diseases and has shown the potential to improve neurological function. The structural characteristics of 6-Aminopyridine-3-thioamide make it an important bioactive molecule in compound development.
Suppliers18 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
山东李比希生物医药科技有限公司17866677155 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
江苏艾康生物医药研发有限公司
Related reactions
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Compound notes
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