Thiourea, N,N'-diheptyl-
Basic information
- CAS
54244-10-9- Standard SMILES
CCCCCCCNC(=S)NCCCCCCC- InChIKey
ZVFTWKBRNQSRLB-UHFFFAOYSA-N- Molecular formula
- C15H32N2S
- Average molar mass
- 272.5 g/mol
- Monoisotopic mass
- 272.2286202
Names & identifiers
- Preferred name
- Thiourea, N,N'-diheptyl-
- IUPAC
- 1,3-diheptylthiourea
- English name
- N,N'-Diheptylthiourea
- Molecular formula
- C15H32N2S
- Molecular weight
- 272.5
Names & synonyms
Thiourea, N,N'-diheptyl-54244-10-9DTXSID2068927RefChem:897960DTXCID4041650N,N'-diheptylthioureaSCHEMBL1276257AKOS024336253DB-326860
Database identifiers
- CAS
54244-10-9- PubChem CID
- 3034741
- DTXSID
DTXSID2068927- Nikkaji
- J429.251K
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 56.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 12
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- EPA Substance Registry System
- Thiourea, N,N'-diheptyl- (54244-10-9)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationThiourea, N,N'-diheptyl-: INACTIVE
Related reactions
1 records
Compound notes
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