1-(Adamantan-1-yl)thiourea
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Basic information
- CAS
25444-82-0- Standard SMILES
NC(=S)NC12CC3CC(CC(C3)C1)C2- InChIKey
LRWQENBAFMBIJR-UHFFFAOYSA-N- Molecular formula
- C11H18N2S
- Average molar mass
- 210.34 g/mol
- Monoisotopic mass
- 210.11906976
Names & identifiers
- Preferred name
- 1-(Adamantan-1-yl)thiourea
- IUPAC
- 1-adamantylthiourea
- English name
- 1-ADAMANTYLTHIOUREA
- Molecular formula
- C11H18N2S
- Molecular weight
- 210.34
Names & synonyms
1-(Adamantan-1-yl)thioureaRefChem:426931672-770-11-Adamantylthiourea25444-82-0N-1-adamantylthiourea(adamantan-1-yl)thioureaMFCD013211241-AdamanthylthioureaThiourea, adamantan-1-yl-Thiourea, N-tricyclo[3.3.1.1~3,7~]dec-1-yl-N-Tricyclo[3.3.1.13,7]dec-1-ylthiourea
Show more names
NSC 1848151-adamantanethiourea1-goldalkanethiourea1-Adamantylthiourea >
1-(1-Adamantyl)thiourea1-(1-adamantyl)-2-thioureaadamantylthioureaAKOS BC-0218AdamanthylthioureaNSC1848151-((3s,5s,7s)-adamantan-1-yl)thioureaCBMicro_020308
Database identifiers
- CAS
25444-82-0- PubChem CID
- 796429
- DTXSID
DTXSID10355311- ChEMBL
CHEMBL3244465- EC Number
- 672-770-1
- Nikkaji
- J913.962A
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 233
Physicochemical properties
- Melting point
- 197 °C · 197 °C
- Boiling point
- 327 · 327.0±25.0 °C(Predicted)
- Density
- 1.21 · 1.21±0.1 g/cm3 (20 ºC 760 Torr)
- pka
- 14.52 · 14.52±0.20(Predicted)
- CAS DataBase Reference
- 25444 · 25444-82-0
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P501
- HazardClass
- IRRITANT
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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302+H312+H332
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P501
Chemistry & industry
Applications
Uses1-Adamantylthiourea performs a viral inhibitory activity against influenza virus A2 infections in mice.
Related reactions
7 records
Compound notes
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