Basic information
- CAS
886-60-2- Standard SMILES
S=C(Nc1ccccc1)Nc1ccccn1- InChIKey
JFHXWMRFXORESD-UHFFFAOYSA-N- Molecular formula
- C12H11N3S
- Average molar mass
- 229.3 g/mol
- Monoisotopic mass
- 229.06736854
Overview
structure in first source
Names & identifiers
- Preferred name
- 1-Phenyl-3-(2-pyridyl)thiourea
- IUPAC
- 1-phenyl-3-pyridin-2-ylthiourea
- English name
- 1-Phenyl-3-(2-pyridyl)-2-thiourea
- Molecular formula
- C12H11N3S
- Molecular weight
- 229.3
Names & synonyms
886-60-21-Phenyl-3-(2-pyridyl)thioureaN-Phenyl-N'-2-pyridylthioureaP-2-PTUDTXSID40237196RefChem:164108DTXCID40159687212-951-01-Phenyl-3-(2-pyridyl)-2-thiourea1-phenyl-3-(pyridin-2-yl)thiourea1-phenyl-3-pyridin-2-ylthioureaThiourea, N-phenyl-N'-2-pyridinyl-
Show more names
1-(2-Pyridyl)-3-phenylthiourea1-(2-Pyridinyl)-3-phenylthiourea1-Phenyl-3-(2-pyridinyl)thiourea1-phenyl-3-(2-pyridyl)-2-thio-ure
N-phenyl-N'-(2-pyridinyl)thioureaUrea, 1-phenyl-3-(2-pyridyl)-2-thio-CHEMBL1971338N-Phenyl-N'-(pyridin-2-yl)thioureaNSC-161945(phenylamino)(2-pyridylamino)methane-1-thioneEINECS 212-951-0NSC 161945
Database identifiers
- CAS
886-60-2- PubChem CID
- 701009
- DTXSID
DTXSID40237196- ChEMBL
CHEMBL1971338- UNII
- W5M2WU9V3M
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 69 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 226
Physicochemical properties
- Melting point
- 173 °C · 173°C
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318-H335-H302-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310
- 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
Danger
H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.5%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- hazard_class
- IRRITANT
- Hazard statements
- H318-H335-H302-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310
Chemistry & industry
Suppliers11 total
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
菏泽丽泽生物科技有限公司10-15853052 15853052030 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
济南利恒生物科技有限公司0531-18763987518 18763987518 · [email protected]
重庆卡兰医药有限公司[email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
上海信旗医药科技有限公司+86-21-54098501 · [email protected]
Related reactions
1 records
Compound notes
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