Basic information
- CAS
126651-85-2- Standard SMILES
S=c1nc(-c2cccc(Br)c2)[nH][nH]1- InChIKey
ALETZOQAGIEADS-UHFFFAOYSA-N- Molecular formula
- C8H6BrN3S
- Average molar mass
- 256.12 g/mol
- Monoisotopic mass
- 254.94658
Names & identifiers
- Preferred name
- 5-(3-bromophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
- IUPAC
- 5-(3-bromophenyl)-1,2-dihydro-1,2,4-triazole-3-thione
- English name
- 5-(3-bromophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
- Molecular formula
- C8H6BrN3S
- Molecular weight
- 256.12
Names & synonyms
126651-85-25-(3-bromophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thioneTyrosinase-IN-165-(3-bromophenyl)-1,2-dihydro-1,2,4-triazole-3-thione3-(3-Bromophenyl)-1H-1,2,4-triazole-5(4H)-thione5-(3-bromophenyl)-4H-1,2,4-triazole-3-thiolWAY-224289CHEMBL13347685-(3-Bromophenyl)-1H-1,2,4-triazole-3(2H)-thioneMLS-0036354.00013-(3-bromophenyl)-1,2,4-triazoline-5-thioneTimTec1_003964
Show more names
3H-1,2,4-Triazole-3-thione, 5-(3-bromophenyl)-1,2-dihydro-
MLS000106438cid_676286orb1741335SCHEMBL5636448SCHEMBL14896058BDBM46660DTXSID70350261ALETZOQAGIEADS-UHFFFAOYSA-N
Database identifiers
- CAS
126651-85-2- PubChem CID
- 676286
- DTXSID
DTXSID70350261- ChEMBL
CHEMBL1334768
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 254
Physicochemical properties
- form
- Solid
- color
- White to off-white
Chemistry & industry
Applications
UsesTyrosinase-IN-16 (compound 19a) is a tyrosine kinase (Tyrosinase) inhibitor with Ki=470 nM. Tyrosinase-IN-16 is cytotoxic to B16F10 cells, with >90% inhibition at 20 μM[1].
Upstream & downstream products
Upstream raw materials
Suppliers14 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
韶关市启程生物科技有限公司18122215013 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
郑州阿尔法化工有限公司0371-53765687 18937137882 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
天津凯利奇生物科技有限公司15076683720 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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