Cas no 7431-78-9 ((4-Methylmercapto-butyl)-thioharnstoff)
7431-78-9 structure
Product Name:(4-Methylmercapto-butyl)-thioharnstoff
CAS No:7431-78-9
MF:C6H14N2S2
MW:178.318758487701
CID:2002610
PubChem ID:112692969
Update Time:2025-04-21
(4-Methylmercapto-butyl)-thioharnstoff Chemical and Physical Properties
Names and Identifiers
-
- (4-Methylmercapto-butyl)-thioharnstoff
- (4-methylsulfanyl-butyl)-thiourea
- 4-Methylthiobutylthioharnstoff
- N-[4-(Methylthio)butyl]thiourea
- DTXSID901303812
- 7431-78-9
- 4-methylthiobutylthio-urea
-
- Inchi： 1S/C6H14N2S2/c1-10-5-3-2-4-8-6(7)9/h2-5H2,1H3,(H3,7,8,9)
- InChI Key： PIBMOCKGHHOIOK-UHFFFAOYSA-N
- SMILES： S(C)CCCCNC(N)=S
Computed Properties
- Exact Mass: 178.05984080g/mol
- Monoisotopic Mass: 178.05984080g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 5
- Complexity: 95.7
- 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: 0.9
- Topological Polar Surface Area: 95.4?2
(4-Methylmercapto-butyl)-thioharnstoff Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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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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