Cas no 5433-13-6 (Carbamimidothioic acid,1,9-nonanediyl ester, dihydrobromide (9CI))
5433-13-6 structure
Product Name:Carbamimidothioic acid,1,9-nonanediyl ester, dihydrobromide (9CI)
CAS No:5433-13-6
MF:C11H25BrN4S2
MW:357.376998662949
CID:384458
PubChem ID:54601183
Update Time:2025-04-19
Carbamimidothioic acid,1,9-nonanediyl ester, dihydrobromide (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Carbamimidothioic acid,1,9-nonanediyl ester, dihydrobromide (9CI)
- 9-carbamimidoylsulfanylnonyl carbamimidothioate,hydrobromide
- NSC-29213
- DTXSID80713085
- NSC29213
- 5433-13-6
- Nonane-1,9-diyl dicarbamimidothioate--hydrogen bromide (1/1)
-
- Inchi： 1S/C11H24N4S2.BrH/c12-10(13)16-8-6-4-2-1-3-5-7-9-17-11(14)15;/h1-9H2,(H3,12,13)(H3,14,15);1H
- InChI Key： MROZSXBXJWKTDZ-UHFFFAOYSA-N
- SMILES： Br.S(C(=N)N)CCCCCCCCCSC(=N)N
Computed Properties
- Exact Mass: 276.14452
- Monoisotopic Mass: 356.07040g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 12
- Complexity: 200
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 150?2
Experimental Properties
- PSA: 99.74
Carbamimidothioic acid,1,9-nonanediyl ester, dihydrobromide (9CI) Related Literature
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Mengke Li,Xinyi Cai,Zhenyang Qiao,Wentao Xie,Liangying Wang,Nan Zheng,Shi-Jian Su Chem. Commun., 2019,55, 7215-7218
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Yingbo Li,Nada Mehio,Huizhou Liu,Sheng Dai Green Chem., 2015,17, 2981-2993
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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