主记录
AC1O4BM3
- CAS
- 353256-80-1
- PubChem CID
- 6403268
- SMILES
- C1=CC=C(C=C1)N2C(=NN=N2)SC3=NNN=C3
- 分子式
- C9H7N7S
- 分子量
- 245.271
- 精确分子量
- 245.0484
- InChI
- InChI=1S/C9H7N7S/c1-2-4-7(5-3-1)16-9(12-14-15-16)17-8-6-10-13-11-8/h1-6H,(H,10,11,13)
- InChIKey
- CYULHJGDVNUYKR-UHFFFAOYSA-N
- LogP
- 0.9316
- TPSA
- 85.17
名称与别名
- AC1O4BM3
- Oprea1_496955
- ZINC984042
- ZINC00984042
- CID6403268
- 1-phenyl-5-(2H-triazol-4-ylsulfanyl)tetrazole
- 1-phenyl-5-(1H-1,2,3-triazol-5-ylsulfanyl)-1H-tetraazole
- AI-204/31688006
- 353256-80-1