4-羟基-2-巯基-6-丙基嘧啶

Description

4-Hydroxy-2-mercapto-6-propylpyrimidine · CAS 51-52-5 · C7H10N2OS. UNII 721M9407IY. Melting Point: 426 to 430 °F (NTP, 1992); Melting Point: 219; Melting Point: 219-221 °C.

Identification

CAS Registry Number	51-52-5
PubChem CID	657298
Molecular formula	C7H10N2OS
IUPAC name	6-propyl-2-sulfanylidene-1H-pyrimidin-4-one
UNII (FDA)	721M9407IY

Computed Descriptors

Molecular Weight	170.23
XLogP3	0.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	170.05138412
Monoisotopic Mass	170.05138412
Topological Polar Surface Area	73.2
Heavy Atom Count	11
Formal Charge	0

Physical & Chemical Properties

Melting Point	426 to 430 °F (NTP, 1992)
Melting Point	219
Melting Point	219-221 °C
Melting Point	219 °C
Solubility	1200
Solubility	In water, 1204 mg/L at 25 °C
Solubility	4.66e-01 g/L
LogP	0.4
LogP	0.7

Physical description & handling notes

• 6-n-propyl-2-thiouracil appears as odorless white crystalline powder of starch-like appearance. Bitter taste. Saturated solution is neutral or slightly acid to litmus. (NTP, 1992)
• Solid
• White crystalline powder of starch-like appearance to eye and to touch
• Bitter
• less than 1 mg/mL at 68 °F (NTP, 1992)
• 1 part dissolves in about 900 parts water at 20 °C, in 100 parts boiling water, in 60 parts ethyl alc, in 60 parts acetone; practically insol in ether, chloroform, benzene; freely sol in aq soln of ammonia and alkali hydroxides

GHS Hazard Classification

Reported hazard statements	H302 (100%), H351 (93.8%), H350, H361, H372

Documented Uses

• Use (kg; approx.) in Germany (2009): >100
• Consumption (g per capita; approx.) in Germany (2009): 0.00122
• Used to manage hyperthyroidism which is due to an overactive thyroid gland (Grave's disease).
• Prepd by condensation of ethyl beta-oxocaproate with thiourea.
• ... Small amounts of thiourea present as an impurity.
• Small amounts of thiourea may be present in propylthiouracil as an impurity.

Synonyms

propylthiouracil; 51-52-5; 6-Propyl-2-thiouracil; Propacil; Prothyran; Procasil; Propycil; Prothiurone; Thiuragyl; Prothiucil; Protiural; Prothycil; Propyl-Thiorist; Propyl-Thyracil; 6-Propylthiouracil; Thyreostat II

Frequently Asked Questions

What are the CAS number and molecular formula of 4-Hydroxy-2-mercapto-6-propylpyrimidine?

CAS 51-52-5; molecular formula C7H10N2OS; molecular weight — g/mol.

What other names is 4-Hydroxy-2-mercapto-6-propylpyrimidine known by?

propylthiouracil, 51-52-5, 6-Propyl-2-thiouracil, Propacil, Prothyran, Procasil.

Is 4-Hydroxy-2-mercapto-6-propylpyrimidine classified as hazardous?

Hazard statements reported: H302, H351, H350, H361, H372.

What are the key physical properties of 4-Hydroxy-2-mercapto-6-propylpyrimidine?

Melting Point: 426 to 430 °F (NTP, 1992); Melting Point: 219; Melting Point: 219-221 °C; Melting Point: 219 °C.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.