CS-0914134
2-(4-(tert-butoxy)-3-cyanophenyl)-4-methylthiazole-5-carboxylic acid
Manufacturer: ChemScene
CAS Number: 2418591-43-0
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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
C₁₆H₁₆N₂O₃S
Molecular Weight
316.37
Synonyms
None
SMILES
N#CC=1C=C(C=CC1OC(C)(C)C)C2=NC(=C(S2)C(=O)O)C
Tpsa
83.21
Logp
3.8657
H Acceptors
5
H Donors
1
Rotatable Bonds
3
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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: C₁₆H₁₆N₂O₃S
Molecular Weight: 316.37
Synonyms: None
SMILES: N#CC=1C=C(C=CC1OC(C)(C)C)C2=NC(=C(S2)C(=O)O)C
Tpsa: 83.21
Logp: 3.8657
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₁₆N₂O₃S
Molecular Weight:
316.37
Synonyms:
None
SMILES:
N#CC=1C=C(C=CC1OC(C)(C)C)C2=NC(=C(S2)C(=O)O)C
Tpsa:
83.21
Logp:
3.8657
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₁₈N₄O₂
Molecular Weight: 286.33
Synonyms: None
SMILES: O=C(OCC)NC=1C=CC(=NC1N)NCC=2C=CC=CC2
Tpsa: 89.27
Logp: 2.8443
H Acceptors: 5
H Donors: 3
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₁₈N₄O₂
Molecular Weight:
286.33
Synonyms:
None
SMILES:
O=C(OCC)NC=1C=CC(=NC1N)NCC=2C=CC=CC2
Tpsa:
89.27
Logp:
2.8443
H Acceptors:
5
H Donors:
3
Rotatable Bonds:
5
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₄H₂₄FNNaO₃
Molecular Weight: 416.44
Synonyms: None
SMILES: C(=C/C=C/C(CC(O)=O)O)\C1=C(C=2C(N1C(C)C)=CC=CC2)C3=CC=C(F)C=C3.[Na]
Tpsa: 62.46
Logp: 5.0525
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 7
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₄H₂₄FNNaO₃
Molecular Weight:
416.44
Synonyms:
None
SMILES:
C(=C/C=C/C(CC(O)=O)O)\C1=C(C=2C(N1C(C)C)=CC=CC2)C3=CC=C(F)C=C3.[Na]
Tpsa:
62.46
Logp:
5.0525
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₄H₂₄FNO₃
Molecular Weight: 393.45
Synonyms: None
SMILES: C(=C/[C@H]1C[C@H](O)CC(=O)O1)\C2=C(C=3C(N2C(C)C)=CC=CC3)C4=CC=C(F)C=C4
Tpsa: 51.46
Logp: 5.108
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:
C₂₄H₂₄FNO₃
Molecular Weight:
393.45
Synonyms:
None
SMILES:
C(=C/[C@H]1C[C@H](O)CC(=O)O1)\C2=C(C=3C(N2C(C)C)=CC=CC3)C4=CC=C(F)C=C4
Tpsa:
51.46
Logp:
5.108
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
4