Basic information
- CAS
6815-00-5- Standard SMILES
NC(=S)NCCc1ccccc1- InChIKey
OFVGPHQYOCKLLM-UHFFFAOYSA-N- Molecular formula
- C9H12N2S
- Average molar mass
- 180.27 g/mol
- Monoisotopic mass
- 180.07211938
Names & identifiers
- Preferred name
- (2-Phenylethyl)thiourea
- IUPAC
- 2-phenylethylthiourea
- English name
- 2-PHENYLETHYLTHIOUREA
- Molecular formula
- C9H12N2S
- Molecular weight
- 180.27
Names & synonyms
6815-00-5(2-phenylethyl)thioureaRefChem:396229671-715-92-Phenylethylthiourea1-phenethylthioureaN-(2-phenylethyl)thioureaMFCD00041194CHEMBL1087842phenethylthioureaphenethyl-thiourean-phenethylthiourea
Show more names
1-(Phenethyl)thiourea2-benzenethylthiourea1-(B-PHENETHYL)-2-THIOUREA1-(β-Phenethyl)-2-thiourea(2-Phenylethyl)thiourea,97%Thiourea, N-(2-phenylethyl)-
amino[(2-phenylethyl)amino]methane-1-thione3-phenethylthioureaLE2phenylethylisothiourea1-(phenethyl)-2-thioureaSCHEMBL525787SCHEMBL1860288OFVGPHQYOCKLLM-UHFFFAOYSA-N
Database identifiers
- CAS
6815-00-5- PubChem CID
- 735845
- DTXSID
DTXSID901366012- ChEMBL
CHEMBL1087842- EC Number
- 671-715-9
- Nikkaji
- J48.962J
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 141
Physicochemical properties
- Melting point
- 150 °C · 150 °C
- BRN
- 2092343 · 2092343
- CAS DataBase Reference
- 6815 · 6815-00-5(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 f · P280f
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 22 · 22-26-36/37/39
- RIDADR
- 2811 · 2811
- HazardClass
- 6.1 · 6.1
- PackingGroup
- III
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 6 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- ridadr
- 2811
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-26-36/37/39
- hazard_class
- 6.1
- packing_group
- III
- Hazard statements
- H302
- Precautionary statements
- P280f
Chemistry & industry
Suppliers25 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
天成化工(江苏)有限公司0512-66387919 18662433356 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
菏泽丽泽生物科技有限公司10-15853052 15853052030
常州合晶化工有限公司85528066 13775048983 · [email protected]
济宁一泽医药科技有限公司15192473210 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
范德(北京)生物科技有限责任公司15911056312 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
济南光尘医药科技有限公司18563726319 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
武汉万鉴生物科技有限公司13277087647 · [email protected]
JACS-郑州杰克斯化工产品有限公司0371-86259281 13223061139 · [email protected]
上海信旗医药科技有限公司+86-21-54098501 · [email protected]
Related reactions
15 records
Compound notes
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