CS-1050643
5-Bromo-1-(4-methoxybenzyl)-3,3-dimethyl-1,3-dihydrobenzo[c]isothiazole 2,2-dioxide
Manufacturer: ChemScene
CAS Number: 3033372-60-7
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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
C₁₇H₁₈BrNO₃S
Molecular Weight
396.30
Synonyms
None
SMILES
O=S1(=O)N(C2=CC=C(Br)C=C2C1(C)C)CC3=CC=C(OC)C=C3
Tpsa
46.61
Logp
4.0428
H Acceptors
3
H Donors
0
Rotatable Bonds
3
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: C₁₇H₁₈BrNO₃S
Molecular Weight: 396.30
Synonyms: None
SMILES: O=S1(=O)N(C2=CC=C(Br)C=C2C1(C)C)CC3=CC=C(OC)C=C3
Tpsa: 46.61
Logp: 4.0428
H Acceptors: 3
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:
C₁₇H₁₈BrNO₃S
Molecular Weight:
396.30
Synonyms:
None
SMILES:
O=S1(=O)N(C2=CC=C(Br)C=C2C1(C)C)CC3=CC=C(OC)C=C3
Tpsa:
46.61
Logp:
4.0428
H Acceptors:
3
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: C₁₂H₁₅BrN₂O₄
Molecular Weight: 331.16
Synonyms: None
SMILES: O=C(O)C=1N=C(C=CC1Br)N(C(=O)OC(C)(C)C)C
Tpsa: 79.73
Logp: 2.9136
H Acceptors: 4
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:
C₁₂H₁₅BrN₂O₄
Molecular Weight:
331.16
Synonyms:
None
SMILES:
O=C(O)C=1N=C(C=CC1Br)N(C(=O)OC(C)(C)C)C
Tpsa:
79.73
Logp:
2.9136
H Acceptors:
4
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: C₇H₂BrClFNO₂S
Molecular Weight: 298.52
Synonyms: None
SMILES: O=S1(=O)N=C(Cl)C=2C(F)=C(Br)C=CC21
Tpsa: 46.5
Logp: 2.2759
H Acceptors: 2
H Donors: 0
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:
C₇H₂BrClFNO₂S
Molecular Weight:
298.52
Synonyms:
None
SMILES:
O=S1(=O)N=C(Cl)C=2C(F)=C(Br)C=CC21
Tpsa:
46.5
Logp:
2.2759
H Acceptors:
2
H Donors:
0
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: C₁₁H₁₆N₂O₅
Molecular Weight: 256.26
Synonyms: None
SMILES: [C@@H](CC1=NC=CO1)(NC(OC(C)(C)C)=O)C(O)=O
Tpsa: 101.66
Logp: 1.195
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:
C₁₁H₁₆N₂O₅
Molecular Weight:
256.26
Synonyms:
None
SMILES:
[C@@H](CC1=NC=CO1)(NC(OC(C)(C)C)=O)C(O)=O
Tpsa:
101.66
Logp:
1.195
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
4