Basic information
- CAS
6265-94-7- Standard SMILES
c1ccc(Cc2nc3ccccc3s2)cc1- InChIKey
MBWYZECWEVLZGI-UHFFFAOYSA-N- Molecular formula
- C14H11NS
- Average molar mass
- 225.31 g/mol
- Monoisotopic mass
- 225.06122053
Names & identifiers
- Preferred name
- 2-Benzyl-1,3-benzothiazole
- IUPAC
- 2-benzyl-1,3-benzothiazole
- English name
- Benzothiazole, 2-(phenylmethyl)- (9CI)
- Molecular formula
- C14H11NS
- Molecular weight
- 225.31
Names & synonyms
2-benzyl-1,3-benzothiazole6265-94-7Benzothiazole, 2-(phenylmethyl)- (9CI)benzothiazole, 2-(phenylmethyl)-MLS0026394582-benzylbenzo[d]thiazole2-BenzylbenzothiazoleNSC33163SCHEMBL1127709CHEMBL1727201DTXSID80283738HMS3079N19
Show more names
Inchi=1/C14H11ns/C1-2-6-11(7-3-1)10-14-15-12-8-4-5-9-13(12)16-14/H1-9H,10h
MFCD00817383NSC 33163NSC-33163SMR001548902SY574227DB-285809F20922F819121
Database identifiers
- CAS
6265-94-7- PubChem CID
- 233993
- DTXSID
DTXSID80283738- ChEMBL
CHEMBL1727201- Nikkaji
- J647.266D
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 225
Physicochemical properties
- Melting point
- 158 °C · 158 °C(Solv: ethanol (64-17-5); acetonitrile (75-05-8))
- Boiling point
- 157 · 157-163 °C(Press: 0.5 Torr)
- Density
- 1.213 · 1.213±0.06 g/cm3(Predicted)
- pka
- 1.32 · 1.32±0.10(Predicted)
Chemistry & industry
Suppliers13 total
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海策嵘生物科技有限公司（定制合成实验室）13917420128 13062833949 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
上海丸全化学科技有限公司18721745940 · [email protected]
Changzhou Ansciep Chemical Co., Ltd.+86 519 86305871 · [email protected]
Nanjing Yushan Wanfang Biotechnology Co., Ltd.+86-025-84918180 +86-18014482516 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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