Basic information
- CAS
30162-39-1- Standard SMILES
NC(=S)Nc1cnc2ccccc2c1- InChIKey
FWHWMBUEPKVKDX-UHFFFAOYSA-N- Molecular formula
- C10H9N3S
- Average molar mass
- 203.27 g/mol
- Monoisotopic mass
- 203.05171847
Names & identifiers
- Preferred name
- (Quinolin-3-yl)thiourea
- IUPAC
- quinolin-3-ylthiourea
- English name
- (quinolin-3-yl)thiourea
- Molecular formula
- C10H9N3S
- Molecular weight
- 203.26
Names & synonyms
(quinolin-3-yl)thiourea30162-39-1RefChem:406930864-310-5quinolin-3-ylthioureaN-(3-quinolinyl)thioureaMFCD01568686MLS0003267533-quinolylthioureaOprea1_2712681-(3-quinolinyl)-2-thioureaSCHEMBL2779562
Show more names
Thiourea, N-3-quinolinyl-
SCHEMBL4516224CHEMBL1557010SCHEMBL31115138FWHWMBUEPKVKDX-UHFFFAOYSA-NHMS2161F14HMS3319C22FBA16239AKOS012076014
Database identifiers
- CAS
30162-39-1- PubChem CID
- 1480927
- ChEMBL
CHEMBL1557010- EC Number
- 864-310-5
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 83 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 219
Physicochemical properties
- Boiling point
- 391.4 · 391.4±34.0 °C(Predicted)
- Density
- 1.402 · 1.402±0.06 g/cm3(Predicted)
- pka
- 12.08 · 12.08±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 312 · H312-H319-H315-H335-H302-H332
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501
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, P317, 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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H312-H319-H315-H335-H302-H332
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers2 total
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
Related reactions
9 records
Compound notes
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