Basic information
- Standard SMILES
Nc1nc2cc3nc(N)sc3cc2s1- InChIKey
ALSFHDCCAKIYIQ-UHFFFAOYSA-N- Molecular formula
- C8H6N4S2
- Average molar mass
- 222.3 g/mol
- Monoisotopic mass
- 222.00338819
Names & identifiers
- Preferred name
- ST076754
- IUPAC
- [1,3]thiazolo[4,5-f][1,3]benzothiazole-2,6-diamine
- English name
- Benzo[1,2-d:5,4-d]bisthiazole-2,6-diamine (9CI)
- Molecular formula
- C8H6N4S2
- Molecular weight
- 222.29
Names & synonyms
2789-24-4ST076754DTXSID50357117RefChem:381446DTXCID20308176[1,3]thiazolo[4,5-f][1,3]benzothiazole-2,6-diamineBenzo[1,2-d:5,4-d']bis(thiazole)-2,6-diamineOprea1_231271Oprea1_656594CHEMBL331032SCHEMBL9963480ALSFHDCCAKIYIQ-UHFFFAOYSA-N
Show more names
Benzo[1,2-d:5,4-d']bisthiazole-2,6-diamineBenzo[1,2-d:5,4-d]bisthiazole-2,6-diamine (9CI)
AKOS000598477EU-00007342,6-diamino-benzo[1,2-d:5,4-d']bisthiazole1,3-thiazolino[4,5-f]benzothiazole-2,6-diamineSR-01000393896SR-01000393896-1Benzo[1,2-d:5,4-d']bis[1,3]thiazole-2,6-diamineZ56971163
Database identifiers
- CAS
2789-24-4- PubChem CID
- 844005
- DTXSID
DTXSID50357117- ChEMBL
CHEMBL331032- Nikkaji
- J457.695K
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 217
Physicochemical properties
- Melting point
- 400 °C · >400 °C
- Boiling point
- 513 · 513.0±60.0 °C(Predicted)
- Density
- 1.741 · 1.741±0.06 g/cm3(Predicted)
- pka
- 2.19 · 2.19±0.50(Predicted)
Chemistry & industry
Suppliers5 total
郑州汇聚化工有限公司13393710386 · [email protected]
贵州易妥化学科技有限公司18628235590 · [email protected]
河南东元化工科技有限公司16696119288 · [email protected]
河南普赛化工产品有限公司0371-60919097 15378766539 · [email protected]
郑州浩创新材料有限公司19139721821; 19139721821 · [email protected]
Related reactions
4 records
Linked notes
Loading…