2-Propanol, 1-(ethylthio)-
Basic information
- CAS
16621-37-7- Standard SMILES
CCSCC(C)O- InChIKey
GPZJYTNYOFOTAI-UHFFFAOYSA-N- Molecular formula
- C5H12OS
- Average molar mass
- 120.22 g/mol
- Monoisotopic mass
- 120.06088618
Names & identifiers
- Preferred name
- 2-Propanol, 1-(ethylthio)-
- IUPAC
- 1-ethylsulfanylpropan-2-ol
- English name
- 1-(ethylthio)propan-2-ol
- Molecular formula
- C5H12OS
- Molecular weight
- 120.21
Names & synonyms
1-(Ethylthio)-2-propanol16621-37-72-Propanol, 1-(ethylthio)-EINECS 240-670-3NSC 202517DTXSID80884921RefChem:89163DTXCID2010243401-(Ethylthio)propan-2-ol1-ethylsulfanylpropan-2-ol1-(ETHYLSULFANYL)PROPAN-2-OL2-Propanol,1-(ethylthio)-
Show more names
NSC202517SCHEMBL5912929SCHEMBL6650086SCHEMBL29098228GPZJYTNYOFOTAI-UHFFFAOYSA-NNSC-202517DS-000281NS00052321
Database identifiers
- CAS
16621-37-7- PubChem CID
- 86041
- DTXSID
DTXSID80884921- EC Number
- 240-670-3
- Nikkaji
- J318.263K
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 39.1
Physicochemical properties
- EPA Substance Registry System
- 2 · 2-Propanol, 1-(ethylthio)- (16621-37-7)
- 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 Information2-Propanol, 1-(ethylthio)-: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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