Basic information
- CAS
61121-66-2- Standard SMILES
CS(=O)CCCCC#N- InChIKey
FGYQUFZANKOISC-UHFFFAOYSA-N- Molecular formula
- C6H11NOS
- Average molar mass
- 145.23 g/mol
- Monoisotopic mass
- 145.05613515
Overview
5-methylsulfinylpentyl nitrile is a nitrile.
Names & identifiers
- Preferred name
- 5-(Methylsulfinyl)pentanenitrile
- IUPAC
- 5-methylsulfinylpentanenitrile
- English name
- 5-methanesulfinylpentanenitrile
- Molecular formula
- C6H11NOS
- Molecular weight
- 145.22
Names & synonyms
5-METHANESULFINYLPENTANENITRILE5-(Methylsulfinyl)pentanenitrileDTXSID50337631RefChem:531406DTXCID30288718831-617-061121-66-25-methylsulfinylpentanenitrileSulforaphane nitrilePentanenitrile, 5-(methylsulfinyl)-starbld00463415-methylsulfinylpentyl nitrile
Show more names
SCHEMBL92777025-(Methanesulfinyl)pentanenitrile5-(methylsulfinyl)-pentanenitrileCHEBI:183095FGYQUFZANKOISC-UHFFFAOYSA-N5-(Methylsulfinyl)pentanenitrile #LCA12166AKOS014018195
Database identifiers
- CAS
61121-66-2- PubChem CID
- 543743
- DTXSID
DTXSID50337631- ChEBI
CHEBI:183095- EC Number
- 831-617-0
- Nikkaji
- J911.245F
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 60.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 135
Physicochemical properties
- Boiling point
- 368.3 · 368.3±25.0 °C(Predicted)
- Density
- 1.113 · 1.113±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H312-H302-H332-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P261-P271-P304+P340-P312-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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification 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
- H319-H315-H312-H302-H332-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers1 total
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
Additional notes
DefinitionChEBI: 5-methylsulfinylpentyl nitrile is a nitrile.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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