Cas no 37791-18-7 (Thiourea, [3-(methylthio)propyl]-)
![Thiourea, [3-(methylthio)propyl]- structure](https://ossimg.kuujia.com/scimg/38000/37791-18-7x500.png)
37791-18-7 structure
Product Name:Thiourea, [3-(methylthio)propyl]-
CAS No:37791-18-7
MF:C5H12N2S2
MW:164.292178153992
CID:1485784
PubChem ID:23143325
Update Time:2025-04-21
Thiourea, [3-(methylthio)propyl]- Chemical and Physical Properties
Names and Identifiers
-
- Thiourea, [3-(methylthio)propyl]-
- 3-methylsulfanylpropylthiourea
- 37791-18-7
- thiourea, N-[3-(methylthio)propyl]-
- SCHEMBL3912185
- AKOS013281335
- 1-[3-(methylsulfanyl)propyl]thiourea
- 3-methylthiopropylthiourea
- N-[3-(methylthio)propyl]thiourea
- DTXSID10630953
- N-[3-(Methylsulfanyl)propyl]thiourea
-
- Inchi： 1S/C5H12N2S2/c1-9-4-2-3-7-5(6)8/h2-4H2,1H3,(H3,6,7,8)
- InChI Key： ZMBHPXKKYAHSOP-UHFFFAOYSA-N
- SMILES： S(C)CCCNC(N)=S
Computed Properties
- Exact Mass: 164.04436
- Monoisotopic Mass: 164.04419074g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 4
- Complexity: 85
- 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: 0.6
- Topological Polar Surface Area: 95.4?2
Experimental Properties
- PSA: 38.05
Thiourea, [3-(methylthio)propyl]- Related Literature
-
Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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