CS-0499204
(6R,7R)-7-Amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid
Manufacturer: ChemScene
CAS Number: 90712-49-5
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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
C₇H₈N₂O₃S
Molecular Weight
200.22
Synonyms
5-Thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylicacid,7-amino-8-oxo-,[6R-(6alpha,7beta)]-(9CI)
SMILES
OC(C1N2[C@@](SC=C1)([H])[C@@H](C2=O)N)=O
Tpsa
83.63
Logp
-0.8043
H Acceptors
4
H Donors
2
Rotatable Bonds
1
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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: C₇H₈N₂O₃S
Molecular Weight: 200.22
Synonyms: 5-Thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylicacid,7-amino-8-oxo-,[6R-(6alpha,7beta)]-(9CI)
SMILES: OC(C1N2[C@@](SC=C1)([H])[C@@H](C2=O)N)=O
Tpsa: 83.63
Logp: -0.8043
H Acceptors: 4
H Donors: 2
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:
C₇H₈N₂O₃S
Molecular Weight:
200.22
Synonyms:
5-Thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylicacid,7-amino-8-oxo-,[6R-(6alpha,7beta)]-(9CI)
SMILES:
OC(C1N2[C@@](SC=C1)([H])[C@@H](C2=O)N)=O
Tpsa:
83.63
Logp:
-0.8043
H Acceptors:
4
H Donors:
2
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: C₉H₈N₂O₂
Molecular Weight: 176.17
Synonyms: None
SMILES: O=C(C1=NC=C(OC)C=C1C#C)N
Tpsa: 65.21
Logp: 0.1704
H Acceptors: 3
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:
C₉H₈N₂O₂
Molecular Weight:
176.17
Synonyms:
None
SMILES:
O=C(C1=NC=C(OC)C=C1C#C)N
Tpsa:
65.21
Logp:
0.1704
H Acceptors:
3
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: C₁₅H₁₂Cl₂N₂O
Molecular Weight: 307.17
Synonyms: None
SMILES: O=C1NC2=CC(Cl)=CC=C2C3=CC(Cl)=CN=C3C1(C)C
Tpsa: 41.99
Logp: 4.2851
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₁₂Cl₂N₂O
Molecular Weight:
307.17
Synonyms:
None
SMILES:
O=C1NC2=CC(Cl)=CC=C2C3=CC(Cl)=CN=C3C1(C)C
Tpsa:
41.99
Logp:
4.2851
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₈ClN₃O₂
Molecular Weight: 295.76
Synonyms: None
SMILES: O=C(OC(C)(C)C)NCC1=CN2C(C=C1)=NC(CCl)=C2
Tpsa: 55.63
Logp: 3.0978
H Acceptors: 4
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:
C₁₄H₁₈ClN₃O₂
Molecular Weight:
295.76
Synonyms:
None
SMILES:
O=C(OC(C)(C)C)NCC1=CN2C(C=C1)=NC(CCl)=C2
Tpsa:
55.63
Logp:
3.0978
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
3