CS-0497930
5-Benzyl-2,2-dimethyl-2,3,7,7a-tetrahydroimidazo[5,1-b]thiazole-3,7-dicarboxylic acid Penicillin Impurity
Manufacturer: ChemScene
CAS Number: 13093-87-3
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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
C₁₆H₁₈N₂O₄S
Molecular Weight
334.39
Synonyms
Benzylpenillic acid
SMILES
O=C(C1N(C(CC2=CC=CC=C2)=NC3C(O)=O)C3SC1(C)C)O
Tpsa
90.2
Logp
1.7011
H Acceptors
5
H Donors
2
Rotatable Bonds
4
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 13093-87-3 | Imidazo[5,1-b]thiazole-3,7-dicarboxylic acid, 2,3,7,7a-tetrahydro-2,2-dimethyl-5-(phenylmethyl)- | A2B Chem | -- |
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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-P330-P362+P364-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: C₁₆H₁₈N₂O₄S
Molecular Weight: 334.39
Synonyms: Benzylpenillic acid
SMILES: O=C(C1N(C(CC2=CC=CC=C2)=NC3C(O)=O)C3SC1(C)C)O
Tpsa: 90.2
Logp: 1.7011
H Acceptors: 5
H Donors: 2
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:
C₁₆H₁₈N₂O₄S
Molecular Weight:
334.39
Synonyms:
Benzylpenillic acid
SMILES:
O=C(C1N(C(CC2=CC=CC=C2)=NC3C(O)=O)C3SC1(C)C)O
Tpsa:
90.2
Logp:
1.7011
H Acceptors:
5
H Donors:
2
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: C₁₁H₁₂N₆O₄S
Molecular Weight: 324.32
Synonyms: None
SMILES: OC(C1=C(C)CS[C@@]([C@@H]2NC(CN3C=NN=N3)=O)([H])N1C2=O)=O
Tpsa: 130.31
Logp: -1.5684
H Acceptors: 8
H Donors: 2
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:
C₁₁H₁₂N₆O₄S
Molecular Weight:
324.32
Synonyms:
None
SMILES:
OC(C1=C(C)CS[C@@]([C@@H]2NC(CN3C=NN=N3)=O)([H])N1C2=O)=O
Tpsa:
130.31
Logp:
-1.5684
H Acceptors:
8
H Donors:
2
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: C₁₄H₂₀N₂O₄S
Molecular Weight: 312.38
Synonyms: Penicillin F
SMILES: O=C(O)[C@H]1C(C)(C)S[C@](N21)([H])[C@@](NC(C/C=C\CC)=O)([H])C2=O
Tpsa: 86.71
Logp: 0.9744
H Acceptors: 4
H Donors: 2
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:
C₁₄H₂₀N₂O₄S
Molecular Weight:
312.38
Synonyms:
Penicillin F
SMILES:
O=C(O)[C@H]1C(C)(C)S[C@](N21)([H])[C@@](NC(C/C=C\CC)=O)([H])C2=O
Tpsa:
86.71
Logp:
0.9744
H Acceptors:
4
H Donors:
2
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: C₁₄H₂₂N₂O₄S
Molecular Weight: 314.40
Synonyms: Amylpenicillin
SMILES: O=C(O)[C@H]1C(C)(C)S[C@](N21)([H])[C@@](NC(CCCCC)=O)([H])C2=O
Tpsa: 86.71
Logp: 1.1984
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₂₂N₂O₄S
Molecular Weight:
314.40
Synonyms:
Amylpenicillin
SMILES:
O=C(O)[C@H]1C(C)(C)S[C@](N21)([H])[C@@](NC(CCCCC)=O)([H])C2=O
Tpsa:
86.71
Logp:
1.1984
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
6