Cas no 6913-17-3 (Carbamimidothioic acid, 1-methylethyl ester)
6913-17-3 structure
Product Name:Carbamimidothioic acid, 1-methylethyl ester
CAS No:6913-17-3
MF:C4H10N2S
MW:118.200599193573
CID:392182
PubChem ID:445319
Update Time:2025-04-19
Carbamimidothioic acid, 1-methylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Carbamimidothioic acid, 1-methylethyl ester
- propan-2-yl carbamimidothioate
- Tocris-0897
- BDBM50271827
- CHEMBL483091
- BRD-K10673031-004-01-2
- starbld0040911
- 6913-17-3
- AKOS005536862
- S-ISOPROPYL-ISOTHIOUREA
- 1-methylethyl imidothiocarbamate
- DB04018
- NCGC00024855-01
- DTXSID10332182
- NS00069239
- Isopropyl carbamimidothioate
- Q27094873
- S-isopropyl isothiourea
- SCHEMBL232032
- 2-Isopropyl-isothiourea
- XSSNABKEYXKKMK-UHFFFAOYSA-N
- BRD-K10673031-004-02-0
- DTXCID60283276
- STK661766
- 2-isopropylisothiourea
- (propan-2-ylsulfanyl)methanimidamide
-
- Inchi： 1S/C4H10N2S/c1-3(2)7-4(5)6/h3H,1-2H3,(H3,5,6)
- InChI Key： XSSNABKEYXKKMK-UHFFFAOYSA-N
- SMILES： S(C(=N)N)C(C)C
Computed Properties
- Exact Mass: 118.05646950g/mol
- Monoisotopic Mass: 118.05646950g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 7
- Rotatable Bond Count: 2
- Complexity: 70.1
- 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: 1
- Topological Polar Surface Area: 75.2?2
Carbamimidothioic acid, 1-methylethyl ester Related Literature
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1. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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