Basic information
- CAS
16015-46-6- Standard SMILES
S=c1[nH]ncc2ccccc12- InChIKey
RGYHGSBVFWRLCJ-UHFFFAOYSA-N- Molecular formula
- C8H6N2S
- Average molar mass
- 162.21 g/mol
- Monoisotopic mass
- 162.02516937
Names & identifiers
- Preferred name
- Phthalazine-1-thiol
- IUPAC
- 2H-phthalazine-1-thione
- English name
- 1-Phthalazinethiol
- Molecular formula
- C8H6N2S
- Molecular weight
- 162.21
Names & synonyms
phthalazine-1-thiol16015-46-61-phthalazinethiolThiophthalazone2H-phthalazine-1-thionephthalazine-1(2H)-thionephthalazinethiol1(2H)-PhthalazinethionephthalazinethionesulfanylphthalazineNSC84131Phthalazin-1-thione
Show more names
NSC 841311-THIOPHTHALAZONEAKOS BBS-00008247PHTHALAZINE-1-THIONE1,2-Dihydro-1-thioxophthalazine
MFCD00721288phthalazine, 1-mercapto-ChemDiv1_000606NCIOpen2_0012551(2H)-Phthalazinethione #MLS000055178SCHEMBL4043088SCHEMBL4043089
Database identifiers
- CAS
16015-46-6- PubChem CID
- 736370
- DTXSID
DTXSID70353010- ChEMBL
CHEMBL1519049- Nikkaji
- J29.050E
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 56.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 200
Physicochemical properties
- Melting point
- 163 · 163-167°C
- Boiling point
- 307.04 · 307.040±25.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.327 · 1.327±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- Refrigerator
- solubility
- soluble in Chloroform, Dichloromethane, DMSO, Methanol
- form
- Solid
- pka
- 9 · 9.000±0.20(predicted)
- color
- Yellow
Chemistry & industry
Applications
UsesThiophthalazone (cas# 16015-46-6) is a compound useful in organic synthesis.
Suppliers16 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
南京药石科技股份有限公司4000255188 · [email protected]
南京芊亿达新材料科技有限公司15384069853 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [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]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
宁波卡瑞欧化工科技有限公司0574-27891269 18667892864 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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