NoName_3561
Basic information
- CAS
31404-08-7- Standard SMILES
COc1ccc(C2NCCS2)cc1- InChIKey
OQFUUZFCTONCOU-UHFFFAOYSA-N- Molecular formula
- C10H13NOS
- Average molar mass
- 195.28 g/mol
- Monoisotopic mass
- 195.07178521
Names & identifiers
- Preferred name
- NoName_3561
- IUPAC
- 2-(4-methoxyphenyl)-1,3-thiazolidine
- English name
- 2-(4-Methoxy-phenyl)-thiazolidine
- Molecular formula
- C10H13NOS
- Molecular weight
- 195.28
Names & synonyms
NoName_3561RefChem:1092522DTXCID20973424DTXSID9090298331404-08-72-(4-Methoxyphenyl)thiazolidine2-(4-Methoxy-phenyl)-thiazolidine2-(4-methoxyphenyl)-1,3-thiazolane2-(4-methoxyphenyl)-1,3-thiazolidineMFCD002228214-methoxy-1-(1,3-thiazolidin-2-yl)benzeneNSC 96378
Show more names
TIMTEC-BB SBB010939IFLAB-BB F0804-1064
Thiazolidine, 2-(4-methoxyphenyl)-BRN 0151108NSC96378F0804-1064NCIOpen2_001818Oprea1_112592Oprea1_4191504-27-00-01814 (Beilstein Handbook Reference)
Database identifiers
- CAS
31404-08-7- PubChem CID
- 98272
- Nikkaji
- J495.744J
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 157
Physicochemical properties
- Melting point
- 100 · 100-102
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2934100090 · 2934100090
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
- hs_code
- 2934100090
- hazard_code
- Xi
- hazard_class
- IRRITANT
Related reactions
2 records
Compound notes
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