Cas no 300706-39-2 (Benzothiazole,4-chloro-7-methoxy-2-methyl-)
300706-39-2 structure
Product Name:Benzothiazole,4-chloro-7-methoxy-2-methyl-
CAS No:300706-39-2
MF:C9H8ClNOS
MW:213.683919906616
CID:298854
PubChem ID:23289310
Update Time:2025-04-19
Benzothiazole,4-chloro-7-methoxy-2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzothiazole,4-chloro-7-methoxy-2-methyl-
- Benzothiazole, 4-chloro-7-methoxy-2-methyl- (9CI)
- ZMCLFOKPJANGJC-UHFFFAOYSA-N
- SCHEMBL8057785
- 4-chloro-7-methoxy-2-methylbenzothiazole
- Benzothiazole,4-chloro-7-methoxy-2-methyl-(9ci)
- 300706-39-2
-
- Inchi： 1S/C9H8ClNOS/c1-5-11-8-6(10)3-4-7(12-2)9(8)13-5/h3-4H,1-2H3
- InChI Key： ZMCLFOKPJANGJC-UHFFFAOYSA-N
- SMILES： ClC1=CC=C(C2=C1N=C(C)S2)OC
Computed Properties
- Exact Mass: 213.00164
- Monoisotopic Mass: 213.002
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 193
- 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
- Topological Polar Surface Area: 50.4A^2
- XLogP3: 3.4
Experimental Properties
- PSA: 22.12
Benzothiazole,4-chloro-7-methoxy-2-methyl- Related Literature
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1. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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