Cas no 93185-34-3 (2-benzylsulfanyl-5-(hydroxymethyl)-1H-pyrimidin-6-one)
93185-34-3 structure
Product Name:2-benzylsulfanyl-5-(hydroxymethyl)-1H-pyrimidin-6-one
CAS No:93185-34-3
MF:C12H12N2O2S
MW:248.300881385803
CID:5689651
PubChem ID:121016117
Update Time:2023-10-12
2-benzylsulfanyl-5-(hydroxymethyl)-1H-pyrimidin-6-one Chemical and Physical Properties
Names and Identifiers
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- 93185-34-3
- DTXSID301189498
- 5-(Hydroxymethyl)-2-[(phenylmethyl)thio]-4(3H)-pyrimidinone
- 2-benzylsulfanyl-5-(hydroxymethyl)-1H-pyrimidin-6-one
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- Inchi： 1S/C12H12N2O2S/c15-7-10-6-13-12(14-11(10)16)17-8-9-4-2-1-3-5-9/h1-6,15H,7-8H2,(H,13,14,16)
- InChI Key： DQNMDGOJLVAXRI-UHFFFAOYSA-N
- SMILES： S(C1=NC=C(CO)C(N1)=O)CC1C=CC=CC=1
Computed Properties
- Exact Mass: 248.06194880g/mol
- Monoisotopic Mass: 248.06194880g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 346
- 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: 1.4
- Topological Polar Surface Area: 87?2
2-benzylsulfanyl-5-(hydroxymethyl)-1H-pyrimidin-6-one Related Literature
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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