4-Methylthiane-4-carbonitrile

HCID 67344978
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Basic information

CAS
1626409-73-1
Standard SMILES
CC1(C#N)CCSCC1
InChIKey
SFMORNRBUKPHOS-UHFFFAOYSA-N
Molecular formula
C7H11NS
Average molar mass
141.24 g/mol

Names & identifiers

Preferred name
4-Methylthiane-4-carbonitrile
IUPAC
4-methylthiane-4-carbonitrile

Names & synonyms

4-methylthiane-4-carbonitrile1626409-73-1RefChem:525723980-309-34-methyltetrahydro-2H-thiopyran-4-carbonitrileSCHEMBL2277233SFMORNRBUKPHOS-UHFFFAOYSA-N4-methyl-tetrahydro-thiopyran-4-carbonitrileEN300-1272158

Database identifiers

CAS
1626409-73-1
PubChem CID
67344978
EC Number
980-309-3

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
49.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
9

Safety & regulation

GHS classification

GHS Classification · 4 items

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

2 records
New reaction record

Compound notes

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