2-Hydrazinyl-5-phenyl-1,3,4-thiadiazole

HCID 253148
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Substructure searchFind similar structures

Basic information

CAS
13229-03-3
Standard SMILES
NNc1nnc(-c2ccccc2)s1
InChIKey
COYPLZXSHTZYFQ-UHFFFAOYSA-N
Molecular formula
C8H8N4S
Average molar mass
192.24 g/mol
Monoisotopic mass
192.04696726

Names & identifiers

Preferred name
2-Hydrazinyl-5-phenyl-1,3,4-thiadiazole
IUPAC
(5-phenyl-1,3,4-thiadiazol-2-yl)hydrazine

Names & synonyms

2-hydrazinyl-5-phenyl-1,3,4-thiadiazole13229-03-3DTXSID20291458RefChem:261511DTXCID20242602842-733-6(5-phenyl-1,3,4-thiadiazol-2-yl)hydrazine1,3,4-Thiadiazol-2(3H)-one, 5-phenyl-, hydrazone2-Hydrazino-5-phenyl-1,3,4-thiadiazoleNSC75710NCIOpen2_000739SCHEMBL3334264
Show more names
CHEMBL1188453COYPLZXSHTZYFQ-UHFFFAOYSA-NNAA22903NSC-75710AKOS0101431272-phenyl-5-hydrazino-1,3,4-thiadiazoleEN300-52158G47696

Database identifiers

CAS
13229-03-3
PubChem CID
253148
DTXSID
DTXSID20291458
ChEMBL
CHEMBL1188453
EC Number
842-733-6
Nikkaji
J2.863.944I

Properties

Computed structural propertiesFilling in

XLogP
1.6
Topological polar surface area
92.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
13

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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