CS-1140722
3-((Pyrimidin-2-ylthio)methyl)benzoic acid
Manufacturer: ChemScene
CAS Number: 194479-20-4
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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
C₁₂H₁₀N₂O₂S
Molecular Weight
246.28
Synonyms
None
SMILES
O=C(O)C1=CC=CC(=C1)CSC2=NC=CC=N2
Tpsa
63.08
Logp
2.4671
H Acceptors
4
H Donors
1
Rotatable Bonds
4
SAFETY INFORMATION
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: C₁₂H₁₀N₂O₂S
Molecular Weight: 246.28
Synonyms: None
SMILES: O=C(O)C1=CC=CC(=C1)CSC2=NC=CC=N2
Tpsa: 63.08
Logp: 2.4671
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₀N₂O₂S
Molecular Weight:
246.28
Synonyms:
None
SMILES:
O=C(O)C1=CC=CC(=C1)CSC2=NC=CC=N2
Tpsa:
63.08
Logp:
2.4671
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₁BN₂O₃
Molecular Weight: 218.02
Synonyms: None
SMILES: O=C1C=2C=CC(=CC2N=C(N1C)C)B(O)O
Tpsa: 75.35
Logp: -1.07828
H Acceptors: 5
H Donors: 2
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:
C₁₀H₁₁BN₂O₃
Molecular Weight:
218.02
Synonyms:
None
SMILES:
O=C1C=2C=CC(=CC2N=C(N1C)C)B(O)O
Tpsa:
75.35
Logp:
-1.07828
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
1
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₈F₃N₃O₂
Molecular Weight: 235.17
Synonyms: None
SMILES: O=N(=O)C1=CN=C(C(=C1)C(F)(F)F)N(C)C
Tpsa: 59.27
Logp: 2.0746
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 2
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₈F₃N₃O₂
Molecular Weight:
235.17
Synonyms:
None
SMILES:
O=N(=O)C1=CN=C(C(=C1)C(F)(F)F)N(C)C
Tpsa:
59.27
Logp:
2.0746
H Acceptors:
4
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: C₉H₁₀N₂O₂
Molecular Weight: 178.19
Synonyms: None
SMILES: O=C1NC2=CC=C(OC)C=C2CN1
Tpsa: 50.36
Logp: 1.3303
H Acceptors: 2
H Donors: 2
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:
C₉H₁₀N₂O₂
Molecular Weight:
178.19
Synonyms:
None
SMILES:
O=C1NC2=CC=C(OC)C=C2CN1
Tpsa:
50.36
Logp:
1.3303
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
1