Basic information
- CAS
127406-12-6- Standard SMILES
O=Cc1ccc(-c2cscn2)cc1- InChIKey
WDMCSJWJYXTEJI-UHFFFAOYSA-N- Molecular formula
- C10H7NOS
- Average molar mass
- 189.24 g/mol
- Monoisotopic mass
- 189.02483484
Names & identifiers
- Preferred name
- 4-(Thiazol-4-yl)benzaldehyde
- IUPAC
- 4-(1,3-thiazol-4-yl)benzaldehyde
- English name
- Benzaldehyde, 4-(4-thiazolyl)-
- Molecular formula
- C10H7NOS
- Molecular weight
- 189.23
Names & synonyms
4-(Thiazol-4-yl)benzaldehyde4-(1,3-thiazol-4-yl)benzaldehyde127406-12-6MFCD246783304-thiazol-4-ylbenzaldehyde4-(4-Thiazolyl)benzaldehydeSCHEMBL534208WDMCSJWJYXTEJI-UHFFFAOYSA-NDTXSID301310697EN300-745596F75195F867597
Show more names
Benzaldehyde, 4-(4-thiazolyl)-
Database identifiers
- CAS
127406-12-6- PubChem CID
- 15045330
- DTXSID
DTXSID301310697
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 178
Physicochemical properties
- Boiling point
- 365 · 365.0±25.0 °C(Predicted)
- Density
- 1.269 · 1.269±0.06 g/cm3(Predicted)
- pka
- 1.52 · 1.52±0.10(Predicted)
- InChI
- InChI=1S/C10H7NOS/c12-5-8-1-3-9(4-2-8)10-6-13-7-11-10/h1-7H
- InChIKey
- WDMCSJWJYXTEJI-UHFFFAOYSA-N
- SMILES
- C(=O)C1=CC=C(C2=CSC=N2)C=C1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Suppliers15 total
Shaanxi Cuikang Pharmaceutical Technology Co., Ltd+86-13119157289 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
河南利恩化工产品有限公司0371-63357898 15378766539 · [email protected]
河南普赛化工产品有限公司0371-63357898 · [email protected]
上海超岚化工科技中心（原上海巢莱）0-2022843681 15618226720 · [email protected]
四川铂友生物科技有限公司（原四川佰朋）028-65791793 18140026355 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
嘉兴市德亿化工有限公司86-0573-85866609 18367600069 · [email protected]
河南普赛化工产品有限公司0371-60919097 15378766539 · [email protected]
河南阿尔法化工有限公司0371-55055611 18137792234 · [email protected]
陕西萃康医药科技有限公司13186333400 19299362551 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
台州昌源化学科技有限公司15005869072 · [email protected]
Related reactions
4 records
Compound notes
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