Cas no 64039-23-2 (Carbamimidothioic acid,1,3-propanediyl ester, monohydrobromide (9CI))
64039-23-2 structure
Product Name:Carbamimidothioic acid,1,3-propanediyl ester, monohydrobromide (9CI)
CAS No:64039-23-2
MF:C5H13BrN4S2
MW:273.21751666069
CID:505052
PubChem ID:116332
Update Time:2025-04-19
Carbamimidothioic acid,1,3-propanediyl ester, monohydrobromide (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Carbamimidothioic acid,1,3-propanediyl ester, monohydrobromide (9CI)
- Pseudourea,2'-trimethylenebis[2-thio-, dihydrobromide
- Trimethyleneisothiouronium bromide
- PROPYLENE DIISOTHIURONIUM DIBROMIDE
- Carbamimidothioic acid,3-propanediyl ester, dihydrobromide
- Pseudourea,2'-trimethylenedithiodi-, dihydrobromide
- USAF IN-2
- WLN: MUYZS3SYZUM &EH 2
- Pseudourea, 2,2'-trimethylenedithiodi-, hydrobromide
- 2-(3-carbamimidoylsulfanylpropyl)isothiourea
- 2,2'-Trimethylenebis[2-thio-pseudourea], hydrobromide
- 5442-32-0
- NSC-12755
- Propane-1,3-diyl dicarbamimidothioate--hydrogen bromide (1/1)
- Propane diisothiourea dihydrobromide
- Pseudourea, 2-thio-, trimethylene-, bromide
- 2,2'-Trimethylenebis(2-thiopseudourea) dihydrobromide
- 64039-23-2
- Pseudourea, 2,2'-trimethylenebis(2-thio-, hydrobromide
- DTXSID50982120
- NSC12755
-
- Inchi： 1S/C5H12N4S2.BrH/c6-4(7)10-2-1-3-11-5(8)9;/h1-3H2,(H3,6,7)(H3,8,9);1H
- InChI Key： AINJSHZWUYIXOP-UHFFFAOYSA-N
- SMILES： Br.S(C(=N)N)CCCSC(=N)N
Computed Properties
- Exact Mass: 271.97669
- Monoisotopic Mass: 271.97650g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 6
- Complexity: 131
- 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,1,3-propanediyl ester, monohydrobromide (9CI) Related Literature
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
-
Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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