Cas no 127879-23-6 (Thiourea, N-methyl-N-2-propenyl- (9CI))
127879-23-6 structure
Product Name:Thiourea, N-methyl-N-2-propenyl- (9CI)
CAS No:127879-23-6
MF:C5H10N2S
MW:130.211299419403
CID:1222200
PubChem ID:21570611
Update Time:2025-04-20
Thiourea, N-methyl-N-2-propenyl- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Thiourea, N-methyl-N-2-propenyl- (9CI)
- 1-methyl-1-prop-2-enylthiourea
- DTXSID30615924
- 127879-23-6
- N-Methyl-N-prop-2-en-1-ylthiourea
- SCHEMBL4556480
-
- Inchi： 1S/C5H10N2S/c1-3-4-7(2)5(6)8/h3H,1,4H2,2H3,(H2,6,8)
- InChI Key： GXQGTKHOKKMQHL-UHFFFAOYSA-N
- SMILES： S=C(N)N(C)CC=C
Computed Properties
- Exact Mass: 130.0566
- Monoisotopic Mass: 130.05646950g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 8
- Rotatable Bond Count: 2
- Complexity: 101
- 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: 0.4
- Topological Polar Surface Area: 61.4?2
Experimental Properties
- PSA: 29.26
Thiourea, N-methyl-N-2-propenyl- (9CI) Related Literature
-
Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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