Basic information
- CAS
21071-28-3- Standard SMILES
CCCCCCNC(=S)NCCCCCC- InChIKey
CYYJFWJNIQDCLT-UHFFFAOYSA-N- Molecular formula
- C13H28N2S
- Average molar mass
- 244.44 g/mol
- Monoisotopic mass
- 244.1973199
Names & identifiers
- Preferred name
- 1,3-(Dihexyl)thiourea
- IUPAC
- 1,3-dihexylthiourea
- English name
- N,N'-DIHEXYLTHIOUREA
- Molecular formula
- C13H28N2S
- Molecular weight
- 244.44
Names & synonyms
21071-28-3N,N'-dihexylthiourea1,3-(Dihexyl)thioureaEINECS 244-191-0DTXSID10175298RefChem:412808DTXCID1097789244-191-01,3-dihexylthioureaThiourea, N,N'-dihexyl-bis(hexylamino)methane-1-thioneNN'-Dihexylthiourea
Show more names
-Di-n-hexylthioureaTIMTEC-BB SBB007700N,N'-Dihexyl-ThioureaN,N- Di-n-hexylthirouea
N,N'-Di-n-hexylthioureadihexyl thioureaMFCD000144681,3-dihexylisothiourea1,3-dihexyl-2-thiourea1,3-di-n-hexyl-thioureaSCHEMBL1276746C13H28N2S
Database identifiers
- CAS
21071-28-3- PubChem CID
- 2801208
- DTXSID
DTXSID10175298- EC Number
- 244-191-0
- Nikkaji
- J225.391G
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 56.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 10
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 144
Physicochemical properties
- Melting point
- 39 · 39-41°C
- Boiling point
- 322.1 · 322.1±25.0 °C(Predicted)
- Density
- 0.919 · 0.919±0.06 g/cm3(Predicted)
- pka
- 14.36 · 14.36±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H413
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- Risk Statements
- 22 · 22
- Safety Statements
- 22 · 22-36/37
- HS Code
- 2930909899 · 2930909899
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]
P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 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
- hs_code
- 2930909899
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-36/37
- Hazard statements
- H302-H413
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers10 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
Aladdin Scientific[email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
3 records
Compound notes
Loading…