Basic information
- CAS
31364-82-6- Standard SMILES
O=C1C2CCCN2C(=S)N1c1ccccc1- InChIKey
YNJJBMAKBUZCKN-UHFFFAOYSA-N- Molecular formula
- C12H12N2OS
- Average molar mass
- 232.3 g/mol
- Monoisotopic mass
- 232.06703418
Names & identifiers
- Preferred name
- Hexahydro-2-phenyl-3-thioxo-1H-pyrrolo(1,2-c)imidazol-1-one
- IUPAC
- 2-phenyl-3-sulfanylidene-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-1-one
- English name
- Phenylthiohydantoin-proline
- Molecular formula
- C12H12N2OS
- Molecular weight
- 232.3
Names & synonyms
4333-21-5DTXSID801189605Hexahydro-2-phenyl-3-thioxo-1H-pyrrolo(1,2-c)imidazol-1-oneHexahydro-2-phenyl-3-thioxo-1H-pyrrolo[1,2-c]imidazol-1-oneRefChem:1086547DTXCID40876307224-374-12-Phenyl-3-thioxohexahydro-1H-pyrrolo[1,2-c]imidazol-1-onePTH-DL-prolinePhenylthiohydantoin-proline31364-82-6PTH-proline
Show more names
PHENYLTHIOHYDANTOIN DL-PROLINEPTH-DL-Proline Phenylthiohydantoin-DL-proline
MFCD000568952-phenyl-3-sulfanylidene-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-1-one1H-Pyrrolo[1,2-c]imidazol-1-one, hexahydro-2-phenyl-3-thioxo-1H-Pyrrolo[1,2-c]imidazol-1-one, hexahydro-2-phenyl-3-thioxo-, (7aS)-NSC96411MLS0011638222-Phenyl-3-sulfanylidenehexahydro-1H-pyrrolo[1,2-c]imidazol-1-oneSCHEMBL5739481
Database identifiers
- CAS
31364-82-6、4333-21-5- PubChem CID
- 100798
- DTXSID
DTXSID00275953
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 325
Physicochemical properties
- storage temp.
- 20 °C · −20°C
- form
- powder
- InChI
- 1S/C12H12N2OS/c15-11-10-7-4-8-13(10)12(16)14(11)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2
- InChIKey
- YNJJBMAKBUZCKN-UHFFFAOYSA-N
- SMILES
- O=C1C2CCCN2C(=S)N1c3ccccc3
- UNSPSC Code
- 12352202 · 12352202
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- WGK Germany
- 3 · 3
- Storage Class
- 11 · 11 - Combustible Solids
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
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Suppliers34 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…