3-(2-Methyl-1,3-thiazol-4-yl)benzaldehyde

HCID 7127782
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Basic information

CAS
850375-05-2
Standard SMILES
Cc1nc(-c2cccc(C=O)c2)cs1
InChIKey
FQQPVEKQPGDYPD-UHFFFAOYSA-N
Molecular formula
C11H9NOS
Average molar mass
203.26 g/mol
Monoisotopic mass
203.04048508

Names & identifiers

Preferred name
3-(2-Methyl-1,3-thiazol-4-yl)benzaldehyde
IUPAC
3-(2-methyl-1,3-thiazol-4-yl)benzaldehyde
English name
3-(2-Methyl-thiazol-4-yl)-benzaldehyde
Molecular formula
C11H9NOS
Molecular weight
203.26

Names & synonyms

850375-05-23-(2-methyl-thiazol-4-yl)-benzaldehyde3-(2-methyl-1,3-thiazol-4-yl)benzaldehyde3-(2-Methylthiazol-4-yl)benzaldehydeBenzaldehyde,3-(2-methyl-4-thiazolyl)-SCHEMBL4538229DTXSID40427797FQQPVEKQPGDYPD-UHFFFAOYSA-NMFCD02681946SBB093164MS-22295DB-021598
Show more names
3-(2-methyl-4-thiazolyl)benzaldehydeBenzaldehyde, 3-(2-methyl-4-thiazolyl)-3-(2-METHYL-1,3-THIAZOL-4YL)BENZALDEHYDE4-(3-Formylphenyl)-2-methyl-1,3-thiazole3-(2-Methyl-1,3-thiazol-4yl)benzaldehyde 97+%
CS-0365550

Database identifiers

CAS
850375-05-2
PubChem CID
7127782
DTXSID
DTXSID40427797

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
58.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
14

Physicochemical properties

Melting point
76 °C · 76 °C
Boiling point
368.3 · 368.3±25.0 °C(Predicted)
Density
1.229 · 1.229±0.06 g/cm3(Predicted)
pka
2.48 · 2.48±0.10(Predicted)
form
solid
color
Yellow

Safety & regulation

Safety data

hs_code
2934100090
risk_code
22-36
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi,Xn
hazard_note
Irritant

Chemistry & industry

Suppliers5 total

珠海奥博凯生物医药技术有限公司400-0628126
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]

Related reactions

14 records
New reaction record

Compound notes

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