CS-1067563
1-(Tert-butyl)-3-(methylthio)-1H-pyrazole-4-carboxylic acid
Manufacturer: ChemScene
CAS Number: 2829636-67-9
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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
C₉H₁₄N₂O₂S
Molecular Weight
214.28
Synonyms
None
SMILES
O=C(O)C1=CN(N=C1SC)C(C)(C)C
Tpsa
55.12
Logp
2.0582
H Acceptors
4
H Donors
1
Rotatable Bonds
2
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: C₉H₁₄N₂O₂S
Molecular Weight: 214.28
Synonyms: None
SMILES: O=C(O)C1=CN(N=C1SC)C(C)(C)C
Tpsa: 55.12
Logp: 2.0582
H Acceptors: 4
H Donors: 1
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:
C₉H₁₄N₂O₂S
Molecular Weight:
214.28
Synonyms:
None
SMILES:
O=C(O)C1=CN(N=C1SC)C(C)(C)C
Tpsa:
55.12
Logp:
2.0582
H Acceptors:
4
H Donors:
1
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: C₁₀H₁₅NO₅
Molecular Weight: 229.23
Synonyms: None
SMILES: C(OCC)(=O)[C@H]1N(C(OCC)=O)CC(=O)C1
Tpsa: 72.91
Logp: 0.3494
H Acceptors: 5
H Donors: 0
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:
C₁₀H₁₅NO₅
Molecular Weight:
229.23
Synonyms:
None
SMILES:
C(OCC)(=O)[C@H]1N(C(OCC)=O)CC(=O)C1
Tpsa:
72.91
Logp:
0.3494
H Acceptors:
5
H Donors:
0
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: C₆H₄BrIO₂S
Molecular Weight: 346.97
Synonyms: None
SMILES: O=C(O)C=1SC(=C(Br)C1I)C
Tpsa: 37.3
Logp: 3.12182
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:
C₆H₄BrIO₂S
Molecular Weight:
346.97
Synonyms:
None
SMILES:
O=C(O)C=1SC(=C(Br)C1I)C
Tpsa:
37.3
Logp:
3.12182
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: C₈H₉IO₂S
Molecular Weight: 296.13
Synonyms: None
SMILES: O=C(O)C=1SC(=CC1I)C(C)C
Tpsa: 37.3
Logp: 3.1743
H Acceptors: 2
H Donors: 1
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:
C₈H₉IO₂S
Molecular Weight:
296.13
Synonyms:
None
SMILES:
O=C(O)C=1SC(=CC1I)C(C)C
Tpsa:
37.3
Logp:
3.1743
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
2