CS-1099672
Benzo[5,6][1,4]oxathiino[3,2-b]pyridine-3-carboxylic acid
Manufacturer: ChemScene
CAS Number: 3031151-32-0
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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
C₁₂H₇NO₃S
Molecular Weight
245.25
Synonyms
None
SMILES
O=C(C1=CN=C2C(OC3=CC=CC=C3S2)=C1)O
Tpsa
59.42
Logp
3.0367
H Acceptors
4
H Donors
1
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: C₁₂H₇NO₃S
Molecular Weight: 245.25
Synonyms: None
SMILES: O=C(C1=CN=C2C(OC3=CC=CC=C3S2)=C1)O
Tpsa: 59.42
Logp: 3.0367
H Acceptors: 4
H Donors: 1
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:
C₁₂H₇NO₃S
Molecular Weight:
245.25
Synonyms:
None
SMILES:
O=C(C1=CN=C2C(OC3=CC=CC=C3S2)=C1)O
Tpsa:
59.42
Logp:
3.0367
H Acceptors:
4
H Donors:
1
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: C₉H₁₀BrNO
Molecular Weight: 228.09
Synonyms: None
SMILES: NC1=C(OC(C)C2)C2=C(Br)C=C1
Tpsa: 35.25
Logp: 2.3547
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:
C₉H₁₀BrNO
Molecular Weight:
228.09
Synonyms:
None
SMILES:
NC1=C(OC(C)C2)C2=C(Br)C=C1
Tpsa:
35.25
Logp:
2.3547
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: C₁₉H₂₇IN₄O₅
Molecular Weight: 518.35
Synonyms: None
SMILES: O=C(OC(C)(C)C)N(C1=C2C(N(CCOC)C=C2I)=NC=N1)C(OC(C)(C)C)=O
Tpsa: 95.78
Logp: 4.3589
H Acceptors: 8
H Donors: 0
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:
C₁₉H₂₇IN₄O₅
Molecular Weight:
518.35
Synonyms:
None
SMILES:
O=C(OC(C)(C)C)N(C1=C2C(N(CCOC)C=C2I)=NC=N1)C(OC(C)(C)C)=O
Tpsa:
95.78
Logp:
4.3589
H Acceptors:
8
H Donors:
0
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: C₂₉H₄₅BN₄O₈
Molecular Weight: 588.50
Synonyms: None
SMILES: O=C(OC(C)(C)C)CCN1C=C(B2OC(C)(C)C(C)(C)O2)C3=C(N(C(OC(C)(C)C)=O)C(OC(C)(C)C)=O)N=CN=C31
Tpsa: 131.31
Logp: 5.1389
H Acceptors: 11
H Donors: 0
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:
C₂₉H₄₅BN₄O₈
Molecular Weight:
588.50
Synonyms:
None
SMILES:
O=C(OC(C)(C)C)CCN1C=C(B2OC(C)(C)C(C)(C)O2)C3=C(N(C(OC(C)(C)C)=O)C(OC(C)(C)C)=O)N=CN=C31
Tpsa:
131.31
Logp:
5.1389
H Acceptors:
11
H Donors:
0
Rotatable Bonds:
5