2-Mercapto-4-hydroxy-5,6-diaminopyrimidine supplier

Name
2-Mercapto-4-hydroxy-5,6-diaminopyrimidine
EINECS 213-727-5
CAS No. 1004-76-8
Article Data15
CAS DataBase
Density 1.66 g/cm³
Solubility
Melting Point >300 °C(lit.)
Formula C₄H₆N₄OS
Boiling Point 473 °C at 760 mmHg
Molecular Weight 158.184
Flash Point 239.9 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 36/38
Molecular Structure
Hazard Symbols Xi
Synonyms Uracil,5,6-diamino-2-thio- (6CI,7CI,8CI);2-Mercapto-4,5-diamino-6-hydroxypyrimidine;4,5-Diamino-2-mercaptopyrimidin-6-ol;4,5-Diamino-6-hydroxy-2-mercaptopyrimidine;5,6-Diamino-2-thiouracil;NSC147804;NSC 45759;
PSA 132.78000
LogP 0.75930

2-Mercapto-4-hydroxy-5,6-diaminopyrimidine Chemical Properties

Molecular Structure of 2-Mercapto-4-hydroxy-5,6-diaminopyrimidine (CAS NO.1004-76-8):

IUPAC Name: 5,6-Diamino-2-sulfanylidene-1H-pyrimidin-4-one
Molecular Formula: C₄H₆N₄OS
Molecular Weight: 158.18
EINECS: 213-727-5
XLogP3-AA: -1.3
H-Bond Donor: 4
H-Bond Acceptor: 3
Index of Refraction: 1.776
Molar Refractivity: 39.75 cm³
Molar Volume: 95 cm³
Surface Tension: 110.8 dyne/cm
Density: 1.66 g/cm³
Flash Point: 239.9 °C
Enthalpy of Vaporization: 76.42 kJ/mol
Boiling Point: 473 °C at 760 mmHg
Vapour Pressure: 1.43E-09 mmHg at 25 °C
Melting Point: >300 °C(lit.)
Canonical SMILES: C1(=C(NC(=S)NC1=O)N)N
InChI: InChI=1S/C4H6N4OS/c5-1-2(6)7-4(10)8-3(1)9/h5H2,(H4,6,7,8,9,10)
InChIKey: QYSWOQHLIDKEOL-UHFFFAOYSA-N
Product Categories: Pyrimidine series; APIs & Intermediate; Pyrimidine; Pyridines, Pyrimidines, Purines and Pteredines

2-Mercapto-4-hydroxy-5,6-diaminopyrimidine Safety Profile

Safety Information of 2-Mercapto-4-hydroxy-5,6-diaminopyrimidine (CAS NO.1004-76-8):
Hazard Codes: Irritant Xi
Risk Statements: 36/38
R36/38:Irritating to eyes and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
WGK Germany: 3

2-Mercapto-4-hydroxy-5,6-diaminopyrimidine Specification

2-Mercapto-4-hydroxy-5,6-diaminopyrimidine (CAS NO.1004-76-8), its Synonyms are 4,5-Diamino-2-thiouracil ; 4,5-Diamino-6-hydroxy-2-thiopyrimidine ; 4(1H)-Pyrimidinone, 5,6-diamino-2,3-dihydro-2-thioxo- ; 4,5-Diamino-2-mercaptopyrimidine-6-ol ; Uracil, 5,6-diamino-2-thio- (VAN) (8CI) .

Product Name

2-Mercapto-4-hydroxy-5,6-diaminopyrimidine

2-Mercapto-4-hydroxy-5,6-diaminopyrimidine Chemical Properties

2-Mercapto-4-hydroxy-5,6-diaminopyrimidine Safety Profile

2-Mercapto-4-hydroxy-5,6-diaminopyrimidine Specification

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