Tetrahydrothiopyran-4-ylamine

HCID 418807

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Basic information

CAS: 21926-00-1
Standard SMILES: NC1CCSCC1
InChIKey: RPIXOLUIHUFDOY-UHFFFAOYSA-N
Molecular formula: C5H11NS
Average molar mass: 117.22 g/mol
Monoisotopic mass: 117.06122053

Names & identifiers

Preferred name: Tetrahydrothiopyran-4-ylamine
IUPAC: thian-4-amine
English name: Tetrahydro-2H-thiopyran-4-amine
Molecular formula: C5H11NS
Molecular weight: 117.21

Names & synonyms

21926-00-1Tetrahydrothiopyran-4-ylamineDTXSID80329246RefChem:384180DTXCID80280348800-653-9Tetrahydro-2H-thiopyran-4-aminethian-4-aminetetrahydro-thiopyran-4-ylamine4-Aminotetrahydro-2H-thiopyran4-AMINOTETRAHYDROTHIOPYRANMFCD07371524

Show more names

4-AMINOTHIOPYRANTetrahydrothiophene-4-amineTetrahydro-thiopyran-4-ylamin2-Aminotetrahydro-2H-thiopyran4-Aminotetrahydro-2H-thiopyran95%

2H-Thiopyran-4-amine, tetrahydro-tetrahydrothiopyran-4-amineSCHEMBL384354orb3030470SCHEMBL1372992SCHEMBL11461307Fr13822AKOS000174928

Database identifiers

CAS: 21926-00-1
PubChem CID: 418807
DTXSID: DTXSID80329246
EC Number: 800-653-9

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 51.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 7
Formal charge: 0
Complexity: 50

Physicochemical properties

Melting point: 0 °C · 0°C
Boiling point: 0 °C · 0°C
Density: 1.032 · 1.032±0.06 g/cm3(Predicted)
Flash point: 0 °C · 0°C
storage temp.: 2 · Storage temp. 2-8°C
form: semi-solid
pka: 9.59 · 9.59±0.20(Predicted)
color: Yellow
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Hazard Codes: Xi,Xn
Risk Statements: 20 · 20/21/22-36/37/38-22
Safety Statements: 20 · 20/21-36/37/39-26-22
Hazard Note: Irritant
HS Code: 2934999090 · 2934999090

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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.