Basic information
- CAS
25343-65-1- Standard SMILES
CC(C)(C)CN=C=S- InChIKey
RNMOLQDSODXHBY-UHFFFAOYSA-N- Molecular formula
- C6H11NS
- Average molar mass
- 129.23 g/mol
- Monoisotopic mass
- 129.06122053
Names & identifiers
- Preferred name
- 1-Isothiocyanato-2,2-dimethylpropane
- IUPAC
- 1-isothiocyanato-2,2-dimethylpropane
Names & synonyms
1-Isothiocyanato-2,2-dimethylpropane25343-65-1RefChem:433389878-487-1Butane,2-isothiocyanato-2-methyl-SCHEMBL4779439AKOS0091581221-Isothiocyanato-2,2-dimethylpropane #EN300-263957G22030
Database identifiers
- CAS
25343-65-1- PubChem CID
- 136393
- EC Number
- 878-487-1
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 44.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 106
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
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P272, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P333+P317, P342+P316, P362+P364, P363, P370+P378, P403, P403+P233, P403+P235, 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 CategoriesFlam. Liq. 3 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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