Basic information
- CAS
38359-86-3- Standard SMILES
O=c1[nH]nnc2sc3c(c12)CCCC3- InChIKey
GTRWBCRNNYLZNQ-UHFFFAOYSA-N- Molecular formula
- C9H9N3OS
- Average molar mass
- 207.25 g/mol
- Monoisotopic mass
- 207.04663309
Names & identifiers
- Preferred name
- 8-Thia-4,5,6-triazatricyclo(7.4.0.0,2,7)trideca-1(9),2(7),5-trien-3-one
- IUPAC
- 5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]triazin-4-one
- English name
- 5,6,7,8-Tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
- Molecular formula
- C9H9N3OS
- Molecular weight
- 207.25
Names & synonyms
8-thia-4,5,6-triazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one8-Thia-4,5,6-triazatricyclo(7.4.0.0,2,7)trideca-1(9),2(7),5-trien-3-oneRefChem:548459102-562-338359-86-35,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]triazin-4-one5,6,7,8-Tetrahydro[1]benzothieno[2,3-d]-1,2,3-triazin-4(1H)-one5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d][1,2,3]triazin-4(3H)-oneMFCD029512045,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4-olF1475-0032
Show more names
5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d][1,2,3]triazin-4(1H)-one[1]Benzothieno[2,3-d]-1,2,3-triazin-4(1H)-one,5,6,7,8-tetrahydro-8-thia-4,5,6-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one
SMR000074696Oprea1_358865MLS000063188F1703-0005CHEMBL1240755SCHEMBL17950456BDBM81737DTXSID10352087
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 82.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 294
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers5 total
台州南峰药物研究所[email protected] 13127117265 · [email protected]
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海研邦医药科技有限公司15618536883 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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