Cas no 73471-98-4 (2-Isopropylthiouracil)
2-Isopropylthiouracil structure
Product Name:2-Isopropylthiouracil
CAS No:73471-98-4
MF:C7H10N2OS
MW:170.232100009918
CID:552352
Update Time:2023-08-02
2-Isopropylthiouracil Chemical and Physical Properties
Names and Identifiers
-
- 4(3H)-Pyrimidinone,2-[(1-methylethyl)thio]-
- 4(1H)-Pyrimidinone,2-[(1-methylethyl)thio]- (9CI)
- 2-Isopropylthiouracil
- 4(3H)-Pyrimidinone, 2-[(1-methylethyl)thio]-
- AXXVQEROTLLRBU-UHFFFAOYSA-N
- 2-[(1-Methylethyl)thio]-4(1H)-pyrimidinone
- 2-(Isopropylsulfanyl)-4(3H)-pyrimidinone #
- 2-(propan-2-ylsulfanyl)-3,4-dihydropyrimidin-4-one
-
- Inchi： 1S/C7H10N2OS/c1-5(2)11-7-8-4-3-6(10)9-7/h3-5H,1-2H3,(H,8,9,10)
- InChI Key： AXXVQEROTLLRBU-UHFFFAOYSA-N
- SMILES： S(C1=NC=CC(N1)=O)C(C)C
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 221
- XLogP3: 1.3
- Topological Polar Surface Area: 66.8
2-Isopropylthiouracil Related Literature
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Jason Wan Lab Chip, 2020,20, 4528-4538
-
Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
-
Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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