CS-0311547
4H-1-Benzothiopyran-4-one, 7-amino-2,3-dihydro-8-hydroxy-, 1,1-dioxide
Manufacturer: ChemScene
CAS Number: 2647465-22-1
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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
C₉H₉NO₄S
Molecular Weight
227.24
Synonyms
None
SMILES
O=C1C2=CC=C(C(O)=C2S(=O)(CC1)=O)N
Tpsa
97.46
Logp
0.3345
H Acceptors
5
H Donors
2
Rotatable Bonds
0
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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: C₉H₉NO₄S
Molecular Weight: 227.24
Synonyms: None
SMILES: O=C1C2=CC=C(C(O)=C2S(=O)(CC1)=O)N
Tpsa: 97.46
Logp: 0.3345
H Acceptors: 5
H Donors: 2
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:
C₉H₉NO₄S
Molecular Weight:
227.24
Synonyms:
None
SMILES:
O=C1C2=CC=C(C(O)=C2S(=O)(CC1)=O)N
Tpsa:
97.46
Logp:
0.3345
H Acceptors:
5
H Donors:
2
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: C₈H₁₅NO₃
Molecular Weight: 173.21
Synonyms: None
SMILES: OC1CCC(C(OCC)=O)NC1
Tpsa: 58.56
Logp: -0.3376
H Acceptors: 4
H Donors: 2
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:
C₈H₁₅NO₃
Molecular Weight:
173.21
Synonyms:
None
SMILES:
OC1CCC(C(OCC)=O)NC1
Tpsa:
58.56
Logp:
-0.3376
H Acceptors:
4
H Donors:
2
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: C₂₆H₄₃BN₂O₆
Molecular Weight: 490.44
Synonyms: Carbamic acid, N-[2-[[(1,1-dimethylethoxy)carbonyl]methylamino]ethyl]-N-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-, 1,1-dimethylethyl ester
SMILES: O=C(OC(C)(C)C)N(CCN(C(OC(C)(C)C)=O)C)CC1=CC=CC(B2OC(C)(C)C(C)(C)O2)=C1
Tpsa: 77.54
Logp: 4.5898
H Acceptors: 6
H Donors: 0
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:
C₂₆H₄₃BN₂O₆
Molecular Weight:
490.44
Synonyms:
Carbamic acid, N-[2-[[(1,1-dimethylethoxy)carbonyl]methylamino]ethyl]-N-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-, 1,1-dimethylethyl ester
SMILES:
O=C(OC(C)(C)C)N(CCN(C(OC(C)(C)C)=O)C)CC1=CC=CC(B2OC(C)(C)C(C)(C)O2)=C1
Tpsa:
77.54
Logp:
4.5898
H Acceptors:
6
H Donors:
0
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: C₇H₁₀N₂O₃
Molecular Weight: 170.17
Synonyms: ethyl2-(5-methyl-1,2,4-oxadiazol-3-yl)acetate
SMILES: O=C(OCC)CC1=NOC(C)=N1
Tpsa: 65.22
Logp: 0.48362
H Acceptors: 5
H Donors: 0
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:
C₇H₁₀N₂O₃
Molecular Weight:
170.17
Synonyms:
ethyl2-(5-methyl-1,2,4-oxadiazol-3-yl)acetate
SMILES:
O=C(OCC)CC1=NOC(C)=N1
Tpsa:
65.22
Logp:
0.48362
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
3