Basic information
- CAS
21494-64-4- Standard SMILES
CCCCN1C(=O)CSC1=S- InChIKey
UTUUGODMVOQPEQ-UHFFFAOYSA-N- Molecular formula
- C7H11NOS2
- Average molar mass
- 189.3 g/mol
- Monoisotopic mass
- 189.02820632
Names & identifiers
- Preferred name
- 3-Butyl-2-thio-4-thiazolidinone
- IUPAC
- 3-butyl-2-sulfanylidene-1,3-thiazolidin-4-one
- English name
- 3-butyl-2-thioxothiazolidin-4-one
- Molecular formula
- C7H11NOS2
- Molecular weight
- 189.3
Names & synonyms
3-Butyl-2-thioxothiazolidin-4-one21494-64-4Rhodanine, 3-butyl-3-Butylrhodanine4-thiazolidinone, 3-butyl-2-thioxo-GI41CBY8953-Butyl-2-thio-4-thiazolidinoneEINECS 244-408-9NSC 190633NSC-190633BRN 0777171UNII-GI41CBY895
Show more names
EA303N-butylrhodanine4-Thiazolidinone,3-butyl-2-thioxo-
DTXSID801758213-BUTYL-2-THIOXO-4-THIAZOLIDINONERefChem:93300DTXCID80983123-butyl-2-thioxo-1,3-thiazolidin-4-one3-butyl-2-sulfanylidene-1,3-thiazolidin-4-oneMFCD01684737NSC190633
Database identifiers
- CAS
21494-64-4- PubChem CID
- 88926
- DTXSID
DTXSID80175821- UNII
- GI41CBY895
- EC Number
- 244-408-9
- Nikkaji
- J226.214B
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 77.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 181
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 121 · 121-122 °C(Press: 0.8 Torr)
- Density
- 1.1118 g/cm3 · 1.1118 g/cm3
- pka
- -1.76 · -1.76±0.20(Predicted)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 41 CBY895 · GI41CBY895
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers19 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
深圳睿迅光电材料科技有限公司0755-26718755; 15889762949 · [email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
Shanghai Scibiotron Pharmaceutical Co., Ltd+86-16621589600 · [email protected]
苏州格奥新材料有限公司0512-62795659 · [email protected]
苏州纳凯科技有限公司0512-62872180 18994314770 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
郑州汇聚化工有限公司0371-55900031 18137872243 · [email protected]
金锦乐(湖南)化学有限公司18001959627(微信同号) 18001959627 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…