CS-0865272
5-Methyl-1-(methylsulfonyl)-1H-pyrrole-3-carboxylic acid
Manufacturer: ChemScene
CAS Number: 2540797-33-7
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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
C₇H₉NO₄S
Molecular Weight
203.22
Synonyms
None
SMILES
O=C(C1=CN(S(=O)(C)=O)C(C)=C1)O
Tpsa
76.37
Logp
0.30242
H Acceptors
4
H Donors
1
Rotatable Bonds
2
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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: C₇H₉NO₄S
Molecular Weight: 203.22
Synonyms: None
SMILES: O=C(C1=CN(S(=O)(C)=O)C(C)=C1)O
Tpsa: 76.37
Logp: 0.30242
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:
C₇H₉NO₄S
Molecular Weight:
203.22
Synonyms:
None
SMILES:
O=C(C1=CN(S(=O)(C)=O)C(C)=C1)O
Tpsa:
76.37
Logp:
0.30242
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: C₂₈H₃₈N₂O₄S
Molecular Weight: 498.68
Synonyms: None
SMILES: O=S(C1=CC=CC=C1)(NC2=C(O[C@@H]3[C@@H](C(C)C)CC[C@H](C)C3)C=CC=C2C4=N[C@@H](C(C)C)CO4)=O
Tpsa: 76.99
Logp: 6.1284
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₈H₃₈N₂O₄S
Molecular Weight:
498.68
Synonyms:
None
SMILES:
O=S(C1=CC=CC=C1)(NC2=C(O[C@@H]3[C@@H](C(C)C)CC[C@H](C)C3)C=CC=C2C4=N[C@@H](C(C)C)CO4)=O
Tpsa:
76.99
Logp:
6.1284
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
8
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₈H₇₁NO₁₃
Molecular Weight: 749.97
Synonyms: None
SMILES: OC[C@@H](O[C@H]([C@@H]([C@@H]1O)O)OC[C@@H]([C@H](O)/C=C/CCCCCCCCCCCCC)NC(CCCCCCC)=O)[C@@H]1O[C@@H]2O[C@@H]([C@@H]([C@@H]([C@H]2O)O)O)CO
Tpsa: 227.86
Logp: 2.0906
H Acceptors: 13
H Donors: 9
Rotatable Bonds: 28
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₈H₇₁NO₁₃
Molecular Weight:
749.97
Synonyms:
None
SMILES:
OC[C@@H](O[C@H]([C@@H]([C@@H]1O)O)OC[C@@H]([C@H](O)/C=C/CCCCCCCCCCCCC)NC(CCCCCCC)=O)[C@@H]1O[C@@H]2O[C@@H]([C@@H]([C@@H]([C@H]2O)O)O)CO
Tpsa:
227.86
Logp:
2.0906
H Acceptors:
13
H Donors:
9
Rotatable Bonds:
28
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₄F₃NO₂
Molecular Weight: 179.10
Synonyms: None
SMILES: O=C(C1=CN(C(F)(F)F)C=C1)O
Tpsa: 42.23
Logp: 1.6626
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:
C₆H₄F₃NO₂
Molecular Weight:
179.10
Synonyms:
None
SMILES:
O=C(C1=CN(C(F)(F)F)C=C1)O
Tpsa:
42.23
Logp:
1.6626
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
1