Basic information
- CAS
7624-34-2- Standard SMILES
CC(C)Cn1[nH]nnc1=S- InChIKey
QRBOTQCENRLUTD-UHFFFAOYSA-N- Molecular formula
- C5H10N4S
- Average molar mass
- 158.23 g/mol
- Monoisotopic mass
- 158.06261751
Names & identifiers
- Preferred name
- 1-(2-methylpropyl)-2,5-dihydro-1H-1,2,3,4-tetrazole-5-thione
- IUPAC
- 1-(2-methylpropyl)-2H-tetrazole-5-thione
Names & synonyms
1-(2-methylpropyl)-2,5-dihydro-1H-1,2,3,4-tetrazole-5-thioneRefChem:422535106-646-01-isobutyl-1H-tetrazole-5-thiol7624-34-25H-Tetrazole-5-thione, 1,2-dihydro-1-(2-methylpropyl)-1-(2-methylpropyl)-2H-tetrazole-5-thioneSCHEMBL11767529SCHEMBL11767534DTXSID20429274HMS1737L08HAA62434
Show more names
MFCD08444181AKOS009084196SY171321EN300-23635G26451AB00980537-011-(2-methylpropyl)-1H-1,2,3,4-tetrazole-5-thiol1-(2-Methylpropyl)-1,2-dihydro-5H-tetrazole-5-thione
Database identifiers
- CAS
7624-34-2- PubChem CID
- 8902202
- DTXSID
DTXSID20429274- EC Number
- 106-646-0
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 165
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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