Cas no 6300-93-2 (6-methyl-2-sulfanylidene-1,3-diazinan-4-one)
6300-93-2 structure
Product Name:6-methyl-2-sulfanylidene-1,3-diazinan-4-one
CAS No:6300-93-2
MF:C5H8N2OS
MW:144.194819450378
CID:1643518
PubChem ID:3431792
Update Time:2025-04-21
6-methyl-2-sulfanylidene-1,3-diazinan-4-one Chemical and Physical Properties
Names and Identifiers
-
- 6-methyl-2-sulfanylidene-1,3-diazinan-4-one
- NSC44128
- AKOS002337312
- 5,6-Dihydro-6-methyl-2-thiouracil
- STK506918
- SBB059861
- 6-methyl-2-thioxo-tetrahydro-pyrimidin-4-one
- 6-methyl-2-sulfanyl-3,5,6-trihydropyrimidin-4-one
- AC1MP9M9
- STK049834
- 6-Methyl-2-thio-5.6-dihydro-uracil
- NSC44128; AKOS002337312; 5,6-Dihydro-6-methyl-2-thiouracil; STK506918; SBB059861; 6-methyl-2-thioxo-tetrahydro-pyrimidin-4-one; 6-methyl-2-sulfanyl-3,5,6-trihydropyrimidin-4-one; AC1MP9M9; STK049834; 6-Methyl-2-thio-5.6-dihydro-uracil;
- 6-methyl-2-thioxotetrahydropyrimidin-4(1H)-one
- 6-methyl-2-sulfanyl-5,6-dihydropyrimidin-4(3H)-one
- DTXSID60392413
- SCHEMBL22187093
- 6300-93-2
- AKOS005384996
- AKOS016037183
- NSC-44128
-
- Inchi： 1S/C5H8N2OS/c1-3-2-4(8)7-5(9)6-3/h3H,2H2,1H3,(H2,6,7,8,9)
- InChI Key： QEXSOJQMAYEVMA-UHFFFAOYSA-N
- SMILES： S=C1NC(CC(C)N1)=O
Computed Properties
- Exact Mass: 144.03584
- Monoisotopic Mass: 144.036
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 157
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.1
- Topological Polar Surface Area: 73.2?2
Experimental Properties
- Density: 1.29
- Boiling Point: 218.9°C at 760 mmHg
- Flash Point: 86.2°C
- Refractive Index: 1.591
- PSA: 41.13
- LogP: 0.42690
6-methyl-2-sulfanylidene-1,3-diazinan-4-one Related Literature
-
Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
-
Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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