CAS 32418-24-9 Ethyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate (HCID 351912)

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Basic information

CAS: 32418-24-9
Standard SMILES: CCOC(=O)CSc1nnc(N)s1
InChIKey: IYLGYUIQSDVGCP-UHFFFAOYSA-N
Molecular formula: C6H9N3O2S2
Average molar mass: 219.3 g/mol
Monoisotopic mass: 219.01361889

Names & identifiers

Preferred name: Ethyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
IUPAC: ethyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
English name: Ethyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]acetate
Molecular formula: C6H9N3O2S2
Molecular weight: 219.28

Names & synonyms

ethyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetateethyl 2-((5-amino-1,3,4-thiadiazol-2-yl)sulfanyl)acetateRefChem:593573869-097-232418-24-9Ethyl 2-((5-amino-1,3,4-thiadiazol-2-yl)thio)acetateethyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]acetateEthyl [(5-amino-1,3,4-thiadiazol-2-yl)thio]acetateMFCD00173723Acetic acid,2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-, ethyl esterethyl [(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetateethyl 2-(5-amino-1,3,4-thiadiazol-2-ylthio)acetate

Show more names

Acetic acid, 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-, ethyl ester

NSC523973Ethyl [(5-amino-1,3,4-thiadiazol-2-yl)sulphanyl]acetateMaybridge1_000140MixCom1_000272MLS000057768SCHEMBL999575CHEMBL1330444DTXSID90326105

Database identifiers

CAS: 32418-24-9
PubChem CID

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 132 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 5
Heavy atoms: 13
Formal charge: 0
Complexity: 181

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 280 · P280-P304+P340-P305+P351+P338
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.