Basic information
- CAS
5891-06-5- Standard SMILES
CCCCCCCCCCNCCS- InChIKey
WOWHRXFAFVDNAP-UHFFFAOYSA-N- Molecular formula
- C12H27NS
- Average molar mass
- 217.42 g/mol
- Monoisotopic mass
- 217.18642104
Overview
RN & structure given in first source
Names & identifiers
- Preferred name
- 2-(Decylamino)ethanethiol
- IUPAC
- 2-(decylamino)ethanethiol
- English name
- 2-n-Decylaminoethanethiol
- Molecular formula
- C12H27NS
- Molecular weight
- 217.41448
Names & synonyms
2-(Decylamino)ethanethiol5891-06-5Ethanethiol, 2-(decylamino)-N-(n-Decyl)aminoethanethiol2-(n-Decylamino)ethanethiolUN1CI8YX5KNSC-841872-(N-Decylamino)-ethanethiolWR-228DTXSID4064052DAETRefChem:461529
Show more names
Ethanethiol,2-(decylamino)-2-n-Decylaminoethanethiol,95%
DTXCID8042501227-564-22-(Decylamino)ethane-1-Thiol2-n-DecylaminoethanethiolNSC84187UNII-UN1CI8YX5KSCHEMBL10705530WOWHRXFAFVDNAP-UHFFFAOYSA-N
Database identifiers
- CAS
5891-06-5- PubChem CID
- 79992
- DTXSID
DTXSID4064052- UNII
- UN1CI8YX5K
- EC Number
- 227-564-2
- Nikkaji
- J81.114I
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 13 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 11
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 96.3
Physicochemical properties
- FDA UNII
- 1 CI8YX5K · UN1CI8YX5K
- EPA Substance Registry System
- 2 · Ethanethiol, 2-(decylamino)- (5891-06-5)
- 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 InformationEthanethiol, 2-(decylamino)-: INACTIVE
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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