Basic information
- CAS
874-83-9- Standard SMILES
CC(=O)C=Cc1cccs1- InChIKey
CIMALVIHZVKKPE-UHFFFAOYSA-N- Molecular formula
- C8H8OS
- Average molar mass
- 152.22 g/mol
- Monoisotopic mass
- 152.02958605
Names & identifiers
- Preferred name
- (3E)-4-(Thiophen-2-yl)but-3-en-2-one
- IUPAC
- 4-thiophen-2-ylbut-3-en-2-one
- English name
- 4-(2-Thienyl)but-3-en-2-one
- Molecular formula
- C8H8OS
- Molecular weight
- 152.21
Names & synonyms
4(2-thienyl)-3-buten-2-one(3E)-4-(Thiophen-2-yl)but-3-en-2-one4-(-2-Thienyl)-3-buten-2-one4-thiophen-2-ylbut-3-en-2-oneSCHEMBL1862223AKOS030241304DB-057005F958914LABOTEST-BB LT000532754-(2-THIENYL)-3-BUTEN-2-ONE1-(2-THIENYL)BUT-1-EN-3-ONE1-(2-THIENYL)-1-BUTEN-3-ONE
Show more names
4-(2-Thienyl)but-3-en-2-one1-(2-Thienyl)-1-butene-3-one3-Buten-2-one, 4-(2-thienyl)-4-(2-Thienyl)-3-buten-2-one,97%(E)-4-thiophen-2-yl-3-buten-2-oneTRANS-4-(2-THIENYL)-3-BUTEN-2-ONE
Database identifiers
- CAS
874-83-9- PubChem CID
- 735948
- DTXSID
DTXSID001310167
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 45.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- Melting point
- 25 · 25-26 °C(lit.)
- Boiling point
- 86 · 86-88 °C (1 mmHg)
- Density
- 1.151 g/mL · 1.151 g/mL at 25 °C(lit.)
- refractive index
- 1.6285 · 1.6285-1.6315
- Flash point
- 230 °F · 230 °F
- CAS DataBase Reference
- 874 · 874-83-9(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 23 · 23-24/25
- WGK Germany
- 3 · 3
- HS Code
- 29349990 · 29349990
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
- wgk
- 3
- hs_code
- 29349990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 23-24/25
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers25 total
杭州品高化工有限公司0571-87658025 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
北京伊诺凯科技有限公司400-810-7969 010-59572699 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
洛阳佳得康化工科技有限公司16668001218 · [email protected]
天成化工(江苏)有限公司0512-66387919 18662433356 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
上海威芬奇医药科技有限公司13817485796 · [email protected]
成都润泽本土化工有限公司028-88469284 18000562381 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
北京迈瑞达科技有限公司010-82387566 18001021521 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
苏州启航生物科技有限公司18662190603 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 18917919676 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +8619957148339 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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