Thiourea, trimethyl-
- Formula: C4H10N2S
- Molecular weight: 118.201
- IUPAC Standard InChI: InChI=1S/C4H10N2S/c1-5-4(7)6(2)3/h1-3H3,(H,5,7)
- IUPAC Standard InChIKey: JAEZSIYNWDWMMN-UHFFFAOYSA-N
- CAS Registry Number: 2489-77-2
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Urea, 1,1,3-trimethyl-2-thio-; N,N,N'-Trimethylthiourea; Thiate E; Trimethylthiourea; 1,1,3-Trimethylthiourea; 1,3,3-Trimethylthiourea; NCI-C02186; 1,1,3-Trimethyl-2-thiourea; NSC 153385; Thiourea, N,N,N'-trimethyl-; trimethyl-2-thiourea
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Gas phase ion energetics data
Go To: Top, Mass spectrum (electron ionization), References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 7.93 ± 0.05 | EI | Baldwin, Maccoll, et al., Ind. 1966 | RDSH |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| CH4N+ | 11.60 | ? | EI | Loudon and Webb, 1977 | LLK |
| C2H4NS+ | 11.25 | ? | EI | Loudon and Webb, 1977 | LLK |
| C2H6N+ | 10.85 | ? | EI | Loudon and Webb, 1977 | LLK |
Mass spectrum (electron ionization)
Go To: Top, Gas phase ion energetics data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | Japan AIST/NIMC Database- Spectrum MS-NW-8108 |
| NIST MS number | 230148 |
References
Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Baldwin, Maccoll, et al., Ind. 1966
Baldwin, M.; Maccoll, A.; Kirkien-Konasiewicz, A.; Saville, B.,
Ionisation potentials of the N-methylated thioureas,
Chem., Ind. 1966, 286. [all data]
Loudon and Webb, 1977
Loudon, A.G.; Webb, K.S.,
The nature of the [C2H6N]+ and [CH4N]+ ions formed by electron impact on methylated formamides, acetamides, ureas, thioureas and hexamethylphosphoramide,
Org. Mass Spectrom., 1977, 12, 283. [all data]
Notes
Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), References
- Symbols used in this document:
AE Appearance energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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