1-cyclohexyl-1H-1,2,3,4-tetrazole-5-thiol
Basic information
- CAS
49847-44-1- Standard SMILES
S=c1nn[nH]n1C1CCCCC1- InChIKey
UFYPTOJTJONMJG-UHFFFAOYSA-N- Molecular formula
- C7H12N4S
- Average molar mass
- 184.26 g/mol
- Monoisotopic mass
- 184.07826757
Overview
See also: 5H-Tetrazole-5-thione, 1-cyclohexyl-1,2-dihydro- (annotation moved to).
Names & identifiers
- Preferred name
- 1-cyclohexyl-1H-1,2,3,4-tetrazole-5-thiol
- IUPAC
- 1-cyclohexyl-2H-tetrazole-5-thione
- English name
- 1-Cyclohexyl-1H-tetrazole-5-thiol
- Molecular formula
- C7H12N4S
- Molecular weight
- 184.26
Names & synonyms
1-cyclohexyl-1H-1,2,3,4-tetrazole-5-thiolRefChem:431647653-491-41-Cyclohexyl-1H-tetrazole-5-thiol49847-44-11-cyclohexyl-2H-tetrazole-5-thioneMFCD001260701H-tetrazole-5-thiol, 1-cyclohexyl-1-cyclohexyl-1,2,3,4-tetraazole-5-thiolNSC1763431-cyclohexyl-5-mercapto-1H-tetrazoleBAS 04891360
Show more names
CYCLOHEXYLTETRAZOLE1-Cyclohexyl-1H-tetraazole-5-thiol1-Cyclohexyl-5-mercapto-1,2,3,4-tetrazole1-cyclohexyl-2H-1,2,3,4-tetrazole-5-thione5H-Tetrazole-5-thione, 1-cyclohexyl-1,2-dihydro-
1-cyclohexyltetrazole-5-thiolSCHEMBL1013139SCHEMBL9556936SCHEMBL9556937DTXSID80351749Tetrazole-5-thiol, 1-cyclohexyl-ALBB-025187CCG-46333
Database identifiers
- CAS
49847-44-1- PubChem CID
- 708462
- DTXSID
DTXSID80351749- EC Number
- 653-491-4
- Nikkaji
- J3.656.970K
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 209
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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