CS-0693626
5-Acetyl-2-bromo-6,6-dimethyl-5,6-dihydro-4H-pyrrolo[3,4-d]thiazol-4-one
Manufacturer: ChemScene
CAS Number: 2648455-23-4
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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
C₉H₉BrN₂O₂S
Molecular Weight
289.15
Synonyms
None
SMILES
O=C1N(C(C)=O)C(C)(C)C2=C1N=C(Br)S2
Tpsa
50.27
Logp
2.143
H Acceptors
4
H Donors
0
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: C₉H₉BrN₂O₂S
Molecular Weight: 289.15
Synonyms: None
SMILES: O=C1N(C(C)=O)C(C)(C)C2=C1N=C(Br)S2
Tpsa: 50.27
Logp: 2.143
H Acceptors: 4
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:
C₉H₉BrN₂O₂S
Molecular Weight:
289.15
Synonyms:
None
SMILES:
O=C1N(C(C)=O)C(C)(C)C2=C1N=C(Br)S2
Tpsa:
50.27
Logp:
2.143
H Acceptors:
4
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: C₉H₁₅BN₂O₃
Molecular Weight: 210.04
Synonyms: None
SMILES: OB(C1=CN(CC2CCOCC2)N=C1)O
Tpsa: 67.51
Logp: -1.0105
H Acceptors: 5
H Donors: 2
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:
C₉H₁₅BN₂O₃
Molecular Weight:
210.04
Synonyms:
None
SMILES:
OB(C1=CN(CC2CCOCC2)N=C1)O
Tpsa:
67.51
Logp:
-1.0105
H Acceptors:
5
H Donors:
2
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: C₇H₈BrNO₃S
Molecular Weight: 266.11
Synonyms: None
SMILES: O=C(C1=C(C(C)(O)C)SC(Br)=N1)O
Tpsa: 70.42
Logp: 1.8312
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:
C₇H₈BrNO₃S
Molecular Weight:
266.11
Synonyms:
None
SMILES:
O=C(C1=C(C(C)(O)C)SC(Br)=N1)O
Tpsa:
70.42
Logp:
1.8312
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: C₆H₇IN₂S
Molecular Weight: 266.10
Synonyms: None
SMILES: CSC1=NC=C(C)C(I)=N1
Tpsa: 25.78
Logp: 2.11152
H Acceptors: 3
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:
C₆H₇IN₂S
Molecular Weight:
266.10
Synonyms:
None
SMILES:
CSC1=NC=C(C)C(I)=N1
Tpsa:
25.78
Logp:
2.11152
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
1