Chemical Properties of 4(1H)-Pyrimidinone, 2,3-dihydro-5-methyl-2-thioxo- (CAS 636-26-0)

InChI

InChI=1S/C5H6N2OS/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)

InChI Key

ZLAQATDNGLKIEV-UHFFFAOYSA-N

Formula

C5H6N2OS

SMILES

Cc1c[nH]c(=S)[nH]c1=O

Molecular Weight¹

142.18

CAS

636-26-0

Other Names

• 2-Thiothymine
• 5-Methyl-2-thiouracil
• Thiothymine
• Thymine, 2-thio-
• Uracil, 5-methyl-2-thio-

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_sub : Sublimation pressure (kPa).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Psub	[1.70e-04; 1.05e-03]	kPa	[413.15; 433.24]
Psub	1.70e-04	kPa	413.15	Experim...
Psub	1.77e-04	kPa	413.15	Experim...
Psub	2.17e-04	kPa	415.25	Experim...
Psub	2.11e-04	kPa	415.25	Experim...
Psub	2.10e-04	kPa	415.25	Experim...
Psub	2.50e-04	kPa	417.15	Experim...
Psub	2.54e-04	kPa	417.15	Experim...
Psub	2.51e-04	kPa	417.24	Experim...
Psub	3.13e-04	kPa	419.23	Experim...
Psub	3.02e-04	kPa	419.23	Experim...
Psub	3.13e-04	kPa	419.23	Experim...
Psub	3.61e-04	kPa	421.24	Experim...
Psub	3.74e-04	kPa	421.24	Experim...
Psub	4.42e-04	kPa	423.16	Experim...
Psub	4.36e-04	kPa	423.16	Experim...
Psub	4.21e-04	kPa	423.16	Experim...
Psub	5.05e-04	kPa	425.20	Experim...
Psub	5.10e-04	kPa	425.20	Experim...
Psub	5.30e-04	kPa	425.20	Experim...
Psub	6.26e-04	kPa	427.22	Experim...
Psub	6.01e-04	kPa	427.22	Experim...
Psub	6.12e-04	kPa	427.22	Experim...
Psub	7.52e-04	kPa	429.15	Experim...
Psub	7.32e-04	kPa	429.15	Experim...
Psub	7.07e-04	kPa	429.15	Experim...
Psub	8.41e-04	kPa	431.22	Experim...
Psub	8.52e-04	kPa	431.22	Experim...
Psub	8.69e-04	kPa	431.22	Experim...
Psub	1.03e-03	kPa	433.24	Experim...
Psub	1.05e-03	kPa	433.24	Experim...
Psub	1.02e-03	kPa	433.24	Experim...

Similar Compounds

Find more compounds similar to 4(1H)-Pyrimidinone, 2,3-dihydro-5-methyl-2-thioxo-.

Sources

• Crippen Method
• Crippen Method
• Experimental study on the thermochemistry of 2-thiouracil, 5-methyl-2-thiouracil and 6-methyl-2-thiouracil
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.