Basic information
- CAS
88067-09-8- Standard SMILES
Cc1cc(C)nc(NC(N)=S)n1- InChIKey
HRVSCCSCURRUPW-UHFFFAOYSA-N- Molecular formula
- C7H10N4S
- Average molar mass
- 182.25 g/mol
- Monoisotopic mass
- 182.06261732
Names & identifiers
- Preferred name
- 4,6-Dimethylpyrimidin-2-ylthiourea
- IUPAC
- (4,6-dimethylpyrimidin-2-yl)thiourea
- English name
- 1-(4',6'-dimethylpyrimidin-2-yl)thiourea
- Molecular formula
- C7H10N4S
- Molecular weight
- 182.25
Names & synonyms
88067-09-8N-(4,6-dimethylpyrimidin-2-yl)thiourea(4,6-dimethylpyrimidin-2-yl)thiourea4,6-dimethylpyrimidin-2-ylthiourea1-(4,6-dimethylpyrimidin-2-yl)thioureaMFCD00719350Thiourea, (4,6-dimethyl-2-pyrimidinyl)-thiourea, N-(4,6-dimethyl-2-pyrimidinyl)-(4,6-Dimethyl-pyrimidin-2-yl)-thiourea4,6-Dimethylpyrimidin-2-ylthiourea, 98%MLS000688357SCHEMBL9456322
Show more names
1-(4',6'-dimethylpyrimidin-2-yl)thiourea1-(4,6-Dimethylpyrimidin-2-yl)thiourea - [D93160]
CHEMBL1423175DTXSID30353657HMS2750G11ALBB-0298924,6-dimethylpyrimidin-2-yl thioureaSTK027250AKOS000625622MS-9508
Database identifiers
- CAS
88067-09-8- PubChem CID
- 747500
- DTXSID
DTXSID30353657- ChEMBL
CHEMBL1423175
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 95.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 163
Experimental & physicochemical properties
Solubility10.4 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 264 · 264-265 °C
- Boiling point
- 366.2 · 366.2±45.0 °C(Predicted)
- Density
- 1.334 · 1.334±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- pka
- 10.9 · 10.90±0.70(Predicted)
- Appearance
- Off-white to light yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers12 total
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
济宁一泽医药科技有限公司15192473210 · [email protected]
河南阿尔法化工有限公司0371-55051623 18137891487 · [email protected]
上海肯恩化学科技有限公司13701870891; 02152215958 · [email protected]
上海恬枫生物科技有限公司18717800556 · [email protected]
济南光尘医药科技有限公司18563726319 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
武汉万鉴生物科技有限公司13277087647 · [email protected]
宝鸡缔都医药化工有限公司029-029-81148929 17792602132 · [email protected]
Related reactions
4 records
Compound notes
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