CS-0926999
2,4-Diazabicyclo[4.2.0]octa-1,3,5-triene, 5-chloro-3-(methylsulfonyl)-
Manufacturer: ChemScene
CAS Number: 2845281-85-6
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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
C₇H₇ClN₂O₂S
Molecular Weight
218.66
Synonyms
None
SMILES
O=S(C1=NC(Cl)=C2CCC2=N1)(C)=O
Tpsa
59.92
Logp
0.6321
H Acceptors
4
H Donors
0
Rotatable Bonds
1
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: C₇H₇ClN₂O₂S
Molecular Weight: 218.66
Synonyms: None
SMILES: O=S(C1=NC(Cl)=C2CCC2=N1)(C)=O
Tpsa: 59.92
Logp: 0.6321
H Acceptors: 4
H Donors: 0
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:
C₇H₇ClN₂O₂S
Molecular Weight:
218.66
Synonyms:
None
SMILES:
O=S(C1=NC(Cl)=C2CCC2=N1)(C)=O
Tpsa:
59.92
Logp:
0.6321
H Acceptors:
4
H Donors:
0
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: C₉H₆BrClS
Molecular Weight: 261.57
Synonyms: None
SMILES: CSC1=C(C#C)C(Br)=CC=C1Cl
Tpsa: 0
Logp: 3.8057
H Acceptors: 1
H Donors: 0
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:
C₉H₆BrClS
Molecular Weight:
261.57
Synonyms:
None
SMILES:
CSC1=C(C#C)C(Br)=CC=C1Cl
Tpsa:
0
Logp:
3.8057
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃H₆CaO₈
Molecular Weight: 210.15
Synonyms: Ketomalonic acid (calcium trihydrate); Mesoxalic acid (calcium trihydrate); Oxomalonic acid (calcium trihydrate)
SMILES: O=C(C([O-])=O)C([O-])=O.O.O.O.[Ca+2]
Tpsa: 191.83
Logp: -6.7996
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃H₆CaO₈
Molecular Weight:
210.15
Synonyms:
Ketomalonic acid (calcium trihydrate); Mesoxalic acid (calcium trihydrate); Oxomalonic acid (calcium trihydrate)
SMILES:
O=C(C([O-])=O)C([O-])=O.O.O.O.[Ca+2]
Tpsa:
191.83
Logp:
-6.7996
H Acceptors:
5
H Donors:
0
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: C₁₁H₂₀FNO₅S
Molecular Weight: 297.34
Synonyms: None
SMILES: O=C(N1C[C@@H](F)[C@@H](OS(=O)(C)=O)CC1)OC(C)(C)C
Tpsa: 72.91
Logp: 1.3101
H Acceptors: 5
H Donors: 0
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:
C₁₁H₂₀FNO₅S
Molecular Weight:
297.34
Synonyms:
None
SMILES:
O=C(N1C[C@@H](F)[C@@H](OS(=O)(C)=O)CC1)OC(C)(C)C
Tpsa:
72.91
Logp:
1.3101
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
2