Cas no 71750-42-0 (Benzaldehyde,(methylthio)- (9CI))
71750-42-0 structure
Product Name:Benzaldehyde,(methylthio)- (9CI)
CAS No:71750-42-0
MF:C8H8OS
MW:152.213521003723
CID:566421
Update Time:2024-03-05
Benzaldehyde,(methylthio)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Benzaldehyde,(methylthio)- (9CI)
- (methylthio)benzaldehyde
- 2-(methylsulfanyl)benzaldehyde
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- Inchi： 1S/C8H8OS/c1-10-8-5-3-2-4-7(8)6-9/h2-6H,1H3
- InChI Key： XIOBUABQJIVPCQ-UHFFFAOYSA-N
- SMILES： C(=O)C1=CC=CC=C1SC
Computed Properties
- Exact Mass: 152.02964
- Monoisotopic Mass: 152.03
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 114
- 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: 42.4A^2
Experimental Properties
- Density: 1.13g/cm3
- Boiling Point: 248.6oC at 760 mmHg
- Flash Point: 117.4oC
- Refractive Index: 1.577
- PSA: 17.07
- LogP: 2.22100
Benzaldehyde,(methylthio)- (9CI) Related Literature
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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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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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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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