Basic information
- CAS
6278-80-4- Standard SMILES
CCCCCCCCCCCCCCCCNC(=S)NCCCCCCCCCCCCCCCC- InChIKey
AMZQAMADELMUOH-UHFFFAOYSA-N- Molecular formula
- C33H68N2S
- Average molar mass
- 525 g/mol
- Monoisotopic mass
- 524.51032135
Names & identifiers
- Preferred name
- 1,3-Dihexadecyl-2-thiourea
- IUPAC
- 1,3-dihexadecylthiourea
- English name
- 1,3-Dihexadecyl-2-thiourea
- Molecular formula
- C33H68N2S
- Molecular weight
- 524.97
Names & synonyms
1,3-Dihexadecyl-2-thioureaRefChem:414421659-403-01,3-dihexadecylthiourea6278-80-4NSC34466N,N'-DihexadecylthioureaSCHEMBL5452967DTXSID60388215NSC-34466AKOS024432762DS-000337
Show more names
Thiourea, N,N'-dihexadecyl-
Database identifiers
- CAS
6278-80-4- PubChem CID
- 3000718
- DTXSID
DTXSID60388215- EC Number
- 659-403-0
- Nikkaji
- J1.263.967H
Properties
Computed structural properties
- XLogP
- 15.5
- Topological polar surface area
- 56.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 30
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 376
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · 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]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications 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
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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