Cas no 261710-82-1 (4-Thiazolecarboxaldehyde,5-(1-methylethyl)-)
261710-82-1 structure
Product Name:4-Thiazolecarboxaldehyde,5-(1-methylethyl)-
CAS No:261710-82-1
MF:C7H9NOS
MW:155.217460393906
CID:247376
PubChem ID:11137386
Update Time:2025-04-19
4-Thiazolecarboxaldehyde,5-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 4-Thiazolecarboxaldehyde,5-(1-methylethyl)-
- 4-Thiazolecarboxaldehyde, 5-(1-methylethyl)- (9CI)
- 5-propan-2-yl-1,3-thiazole-4-carbaldehyde
- 5-iso-Propyl-thiazole-4-carbaldehyde
- 261710-82-1
- ZNCIEQFZRKIVOL-UHFFFAOYSA-N
- 5-Isopropylthiazole-4-carbaldehyde
- 4-Thiazolecarboxaldehyde,5-(1-methylethyl)-(9ci)
- SCHEMBL6296384
-
- Inchi： 1S/C7H9NOS/c1-5(2)7-6(3-9)8-4-10-7/h3-5H,1-2H3
- InChI Key： ZNCIEQFZRKIVOL-UHFFFAOYSA-N
- SMILES： S1C=NC(C=O)=C1C(C)C
Computed Properties
- Exact Mass: 155.04057
- Monoisotopic Mass: 155.04048508g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 127
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.9
- Topological Polar Surface Area: 58.2?2
Experimental Properties
- PSA: 29.96
4-Thiazolecarboxaldehyde,5-(1-methylethyl)- Related Literature
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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