CS-0532709
3-((4-Amino-2-methylpyrimidin-5-yl)methyl)-4-methyl-5-(2-(sulfooxy)ethyl)thiazol-3-ium hydrogensulfate Thiamine Impurity
Manufacturer: ChemScene
CAS Number: 2882-75-9
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₂H₁₈N₄O₈S₃
Molecular Weight
442.49
Synonyms
Thiamine EP Impurity A Sulfate
SMILES
O=S([O-])(O)=O.O=S(O)(OCCC1=C(C)[N+](CC2=CN=C(C)N=C2N)=CS1)=O
Tpsa
196.71
Logp
-0.56056
H Acceptors
10
H Donors
3
Rotatable Bonds
6
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SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₈N₄O₈S₃
Molecular Weight: 442.49
Synonyms: Thiamine EP Impurity A Sulfate
SMILES: O=S([O-])(O)=O.O=S(O)(OCCC1=C(C)[N+](CC2=CN=C(C)N=C2N)=CS1)=O
Tpsa: 196.71
Logp: -0.56056
H Acceptors: 10
H Donors: 3
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₈N₄O₈S₃
Molecular Weight:
442.49
Synonyms:
Thiamine EP Impurity A Sulfate
SMILES:
O=S([O-])(O)=O.O=S(O)(OCCC1=C(C)[N+](CC2=CN=C(C)N=C2N)=CS1)=O
Tpsa:
196.71
Logp:
-0.56056
H Acceptors:
10
H Donors:
3
Rotatable Bonds:
6
Purity: 97%
MDL No: MFCD27967186
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₄H₂₉FN₄O₂
Molecular Weight: 424.51
Synonyms: 6-Methylrisperidone
SMILES: O=C1C(CCN2CCC(CC2)C3=NOC4=C3C=CC(F)=C4)=C(C)N=C5N1C(CCC5)C
Tpsa: N/A
Logp: N/A
H Acceptors: N/A
H Donors: N/A
Rotatable Bonds: N/A
Purity:
97%
MDL No:
MFCD27967186
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₄H₂₉FN₄O₂
Molecular Weight:
424.51
Synonyms:
6-Methylrisperidone
SMILES:
O=C1C(CCN2CCC(CC2)C3=NOC4=C3C=CC(F)=C4)=C(C)N=C5N1C(CCC5)C
Tpsa:
N/A
Logp:
N/A
H Acceptors:
N/A
H Donors:
N/A
Rotatable Bonds:
N/A
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄H₄N₃NaO₃
Molecular Weight: 165.08
Synonyms: )">5-Hydroxy-1-methyl-4-nitroimidazole Sodium Salt (>)
SMILES: CN1C(O[Na])=C([N+]([O-])=O)N=C1
Tpsa: 70.19
Logp: -0.2094
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄H₄N₃NaO₃
Molecular Weight:
165.08
Synonyms:
)">5-Hydroxy-1-methyl-4-nitroimidazole Sodium Salt (>)
SMILES:
CN1C(O[Na])=C([N+]([O-])=O)N=C1
Tpsa:
70.19
Logp:
-0.2094
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₁₀O₃
Molecular Weight: 130.14
Synonyms: 5-Methyloxolane-3-carboxylic acid
SMILES: O=C(C1COC(C1)C)O
Tpsa: 46.53
Logp: 0.496
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₁₀O₃
Molecular Weight:
130.14
Synonyms:
5-Methyloxolane-3-carboxylic acid
SMILES:
O=C(C1COC(C1)C)O
Tpsa:
46.53
Logp:
0.496
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
1