CS-0147313
Isopenicillin N
Manufacturer: ChemScene
CAS Number: 58678-43-6
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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
C₁₄H₂₁N₃O₆S
Molecular Weight
359.40
Synonyms
Cefmenoxime Impurity 41
SMILES
O=C([C@@H](C(C)(C)S[C@]1([H])[C@@H]2NC(CCC[C@H](N)C(O)=O)=O)N1C2=O)O
Tpsa
150.03
Logp
-0.7997
H Acceptors
6
H Donors
4
Rotatable Bonds
7
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-P272-P280-P285-P302+P352-P304+P340-P305+P351+P338-P330-P362-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: C₁₄H₂₁N₃O₆S
Molecular Weight: 359.40
Synonyms: Cefmenoxime Impurity 41
SMILES: O=C([C@@H](C(C)(C)S[C@]1([H])[C@@H]2NC(CCC[C@H](N)C(O)=O)=O)N1C2=O)O
Tpsa: 150.03
Logp: -0.7997
H Acceptors: 6
H Donors: 4
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:
C₁₄H₂₁N₃O₆S
Molecular Weight:
359.40
Synonyms:
Cefmenoxime Impurity 41
SMILES:
O=C([C@@H](C(C)(C)S[C@]1([H])[C@@H]2NC(CCC[C@H](N)C(O)=O)=O)N1C2=O)O
Tpsa:
150.03
Logp:
-0.7997
H Acceptors:
6
H Donors:
4
Rotatable Bonds:
7
Purity: 98%
MDL No: MFCD00236337
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₅F₃O₂S
Molecular Weight: 222.18
Synonyms: 3-[(trifluoromethyl)sulfanyl]benzoate
SMILES: O=C(O)C1=CC=CC(SC(F)(F)F)=C1
Tpsa: 37.3
Logp: 2.9967
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
MFCD00236337
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₅F₃O₂S
Molecular Weight:
222.18
Synonyms:
3-[(trifluoromethyl)sulfanyl]benzoate
SMILES:
O=C(O)C1=CC=CC(SC(F)(F)F)=C1
Tpsa:
37.3
Logp:
2.9967
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
2
Purity: 97%
MDL No: MFCD00236336
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₅F₃O₂S
Molecular Weight: 222.18
Synonyms: 2-(TRIFLUOROMETHYLTHIO)BENZOIC ACI
SMILES: O=C(O)C1=CC=CC=C1SC(F)(F)F
Tpsa: 37.3
Logp: 2.9967
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 2
Purity:
97%
MDL No:
MFCD00236336
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₅F₃O₂S
Molecular Weight:
222.18
Synonyms:
2-(TRIFLUOROMETHYLTHIO)BENZOIC ACI
SMILES:
O=C(O)C1=CC=CC=C1SC(F)(F)F
Tpsa:
37.3
Logp:
2.9967
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄H₅N₃O₂
Molecular Weight: 127.10
Synonyms: 2H-1,2,3-Triazole-4-carboxylic acid, methyl ester (9CI)
SMILES: O=C(C1=NNN=C1)OC.[Methyl 2H-1,2,3-triazole-4-carboxylate]
Tpsa: 67.87
Logp: 0.2274
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄H₅N₃O₂
Molecular Weight:
127.10
Synonyms:
2H-1,2,3-Triazole-4-carboxylic acid, methyl ester (9CI)
SMILES:
O=C(C1=NNN=C1)OC.[Methyl 2H-1,2,3-triazole-4-carboxylate]
Tpsa:
67.87
Logp:
0.2274
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
1