2-Methylbenzo(d)thiazole-5-carbonitrile

HCID 15089712
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Basic information

CAS
90418-93-2
Standard SMILES
Cc1nc2cc(C#N)ccc2s1
InChIKey
LMGBAGZYSFICDQ-UHFFFAOYSA-N
Molecular formula
C9H6N2S
Average molar mass
174.22 g/mol
Monoisotopic mass
174.02516919

Names & identifiers

Preferred name
2-Methylbenzo(d)thiazole-5-carbonitrile
IUPAC
2-methyl-1,3-benzothiazole-5-carbonitrile
English name
5-Benzothiazolecarbonitrile,2-methyl-(7CI,9CI)
Molecular formula
C9H6N2S
Molecular weight
174.22

Names & synonyms

2-Methylbenzo[d]thiazole-5-carbonitrile2-Methylbenzo(d)thiazole-5-carbonitrileRefChem:475969849-168-490418-93-22-methyl-1,3-benzothiazole-5-carbonitrile2-methylbenzothiazole-5-carbonitrileMFCD184159735-Benzothiazolecarbonitrile, 2-methyl-5-cyano-2-methylbenzothiazoleSCHEMBL7380470DTXSID60568035
Show more names
5-Benzothiazolecarbonitrile,2-methyl-(7CI,9CI)
LMGBAGZYSFICDQ-UHFFFAOYSA-N2-methyl-5-benzothiazolecarbonitrile2-Methyl- 5-BenzothiazolecarbonitrileAKOS016006554DS-2573FS-3704SY034697DB-338609

Database identifiers

CAS
90418-93-2
PubChem CID
15089712
DTXSID
DTXSID60568035
EC Number
849-168-4
Nikkaji
J2.899.425G

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
64.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
12

Physicochemical properties

Boiling point
325.1 · 325.1±15.0 °C(Predicted)
Density
1.3 · 1.30±0.1 g/cm3(Predicted)
storage temp.
Sealed in dry,Room Temperature
pka
0.19 · 0.19±0.10(Predicted)
Appearance
Light yellow to yellow Solid
Symbol(GHS)
7 · GHS07

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, 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.

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Suppliers31 total

陕西凯尔凯医药科技有限公司029-2148545164 17392779578 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

Related reactions

4 records
New reaction record

Compound notes

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