Basic information
- CAS
83718-64-3- Standard SMILES
Nc1nc2c(s1)CCN(Cc1ccc(Cl)cc1)CC2- InChIKey
QHNGFZZXGOFXPN-UHFFFAOYSA-N- Molecular formula
- C14H16ClN3S
- Average molar mass
- 293.8 g/mol
- Monoisotopic mass
- 293.0753464
Overview
RN given refers to parent cpd
Names & identifiers
- Preferred name
- B-HT 958
- IUPAC
- 6-[(4-chlorophenyl)methyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amine
- English name
- 4-[(4-chlorophenyl)methyl]-10-thia-4,8-diazabicyclo[5.3.0]deca-8,11-di en-9-amine
- Molecular formula
- C14H16ClN3S
- Molecular weight
- 293.81
Names & synonyms
83718-64-32-Amino-6-(p-chlorobenzyl)-4H-5,6,7,8-tetrahydrothiazolo(5,4-d)azepineB-HT 958B HT-9584H-Thiazolo(4,5-d)azepin-2-amine, 6-((4-chlorophenyl)methyl)-5,6,7,8-tetrahydro-4H-Thiazolo[4,5-d]azepin-2-amine, 6-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydro-RefChem:1161946-[(4-chlorophenyl)methyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amineB-HT-9586-(4-Chlorobenzyl)-5,6,7,8-tetrahydro-4H-thiazolo[4,5-d]azepin-2-amineBG8CY57KCHSCHEMBL7285361
Show more names
2-Amino-6-(4-chlorobenzyl)-5,6,7,8-tetrahydro-4H-thiazolo[4,5-d]azepine4H-Thiazolo[4,5-d]azepin-2-amine,6-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydro-4-[(4-chlorophenyl)methyl]-10-thia-4,8-diazabicyclo[5.3.0]deca-8,11-di en-9-amine
DTXSID501003725NCGC00386531-012-amino-6-[p-chlorobenzyl]-5,6,7,8-tetrahydro-4h-thiazolo-[4,5-d]-azepine6-[(4-Chlorophenyl)methyl]-3,4,5,6,7,8-hexahydro-2H-[1,3]thiazolo[4,5-d]azepin-2-imine6-[(4-Chlorophenyl)methyl]-5,6,7,8-tetrahydro-4H-thiazolo[4,5-d]azepin-2-amine
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 70.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 296
Physicochemical properties
- Boiling point
- 462.5 · 462.5±40.0 °C(Predicted)
- Density
- 1.333 · 1.333
- pka
- 6.9 · 6.90±0.20(Predicted)
Chemistry & industry
Suppliers2 total
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
济南九黎生物科技有限公司15865264761 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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