Basic information
- CAS
141034-14-2- Standard SMILES
NC(=S)N[C@@H]1c2ccccc2C[C@H]1O- InChIKey
VYMANYOHQDLION-RKDXNWHRSA-N- Molecular formula
- C10H12N2OS
- Average molar mass
- 208.28 g/mol
- Monoisotopic mass
- 208.06703418
Names & identifiers
- Preferred name
- ((1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl)thiourea
- IUPAC
- [(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]thiourea
- English name
- trans-N-(2-Hydroxyindane-1-yl)thiourea
- Molecular formula
- C10H12N2OS
- Molecular weight
- 208.28
Names & synonyms
[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]thiourea((1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl)thioureaRefChem:389547954-033-9141034-14-2Thiourea, (2,3-dihydro-2-hydroxy-1H-inden-1-yl)-, trans-BRN 5335537trans-N-(2-Hydroxyindane-1-yl)thiourea2624109-33-5trans-(2,3-Dihydro-2-hydroxy-1H-inden-1-yl)thiourea1-((1R,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL)THIOUREADTXSID10161530
Show more names
H62268EN300-27739274F569843N-[(1R,2R)-2-Hydroxy-2,3-dihydro-1H-inden-1-yl]thiourea
Database identifiers
- CAS
141034-14-2- PubChem CID
- 3072136
- DTXSID
DTXSID10161530- EC Number
- 954-033-9
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 90.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 234
Physicochemical properties
- Boiling point
- 397.904 · 397.904±52.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.368 · 1.368±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 13.393 · 13.393±0.40(predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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