Basic information
- Standard SMILES
N#Cc1ccc(CO)s1- InChIKey
CORJYXNQPRQFPT-UHFFFAOYSA-N- Molecular formula
- C6H5NOS
- Average molar mass
- 139.18 g/mol
- Monoisotopic mass
- 139.00918478
Names & identifiers
- Preferred name
- 5-(Hydroxymethyl)thiophene-2-carbonitrile
- IUPAC
- 5-(hydroxymethyl)thiophene-2-carbonitrile
- English name
- 5-(HydroxyMethyl)thiophene-2-carbonitrile
- Molecular formula
- C6H5NOS
- Molecular weight
- 139.18
Names & synonyms
5-(hydroxymethyl)thiophene-2-carbonitrile172349-09-62-Thiophenecarbonitrile, 5-(hydroxymethyl)-MFCD22987913SCHEMBL2329773DTXSID80442328CORJYXNQPRQFPT-UHFFFAOYSA-N2-cyano-5-(hydroxymethyl)thiopheneXH13005-Hydroxymethylthiophene-2-carbonitrileBS-31257SY290431
Show more names
DB-332714CS-0212773EN300-1600974F639015
Database identifiers
- CAS
172349-09-6- PubChem CID
- 10606813
- DTXSID
DTXSID80442328
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 72.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 139
Physicochemical properties
- Boiling point
- 293.7 · 293.7±25.0 °C(Predicted)
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 13.46 · 13.46±0.10(Predicted)
- Appearance
- Colorless to light yellow Liquid
Chemistry & industry
Suppliers23 total
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
常州宣叶科技有限公司15195022192 · [email protected]
苏州启航生物科技有限公司18151111370
南京诺利斯医药科技有限公司13901585132 · [email protected]
上海丽康新材料有限公司+86-16631818819 +86-17736933208 · [email protected]
湖州清硫硅生物科技有限公司13626726938 · [email protected]
上海威芬奇医药科技有限公司13817485796 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
湖州澄博生物科技有限公司13626726938
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
上海禹犇生物科技有限公司021-61350663 15502154572 · [email protected]
郑州艾克姆化工有限公司0371-63315541 13323832564 · [email protected]
武汉德克瑞生物医药科技有限公司027-69573188 18221423799 · [email protected]
深圳博泰尔生物技术有限公司13316949107 13316968096 · [email protected]
河南阿尔法化工有限公司0371-55055611 18137792234 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 18917919676 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
南京毕科生物科技有限公司025-58906079 17352406906 · [email protected]
Related reactions
12 records
Linked notes
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