CS-1101858
2,4-Diacetyl-3,5-dihydroxy-6,6-dimethyl-2,4-cyclohexadien-1-one
Manufacturer: ChemScene
CAS Number: 167960-42-1
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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
C₁₂H₁₄O₅
Molecular Weight
238.24
Synonyms
None
SMILES
O=C1C(C(C)=O)=C(O)C(C(C)=O)=C(O)C1(C)C
Tpsa
91.67
Logp
1.3975
H Acceptors
5
H Donors
2
Rotatable Bonds
2
Related Products
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: C₁₂H₁₄O₅
Molecular Weight: 238.24
Synonyms: None
SMILES: O=C1C(C(C)=O)=C(O)C(C(C)=O)=C(O)C1(C)C
Tpsa: 91.67
Logp: 1.3975
H Acceptors: 5
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:
C₁₂H₁₄O₅
Molecular Weight:
238.24
Synonyms:
None
SMILES:
O=C1C(C(C)=O)=C(O)C(C(C)=O)=C(O)C1(C)C
Tpsa:
91.67
Logp:
1.3975
H Acceptors:
5
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: C₈H₁₁ClN₂O₂S₂
Molecular Weight: 266.77
Synonyms: None
SMILES: CC(N(C1=C2SC(Cl)=C1)CNS2(=O)=O)C
Tpsa: 49.41
Logp: 1.8657
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:
C₈H₁₁ClN₂O₂S₂
Molecular Weight:
266.77
Synonyms:
None
SMILES:
CC(N(C1=C2SC(Cl)=C1)CNS2(=O)=O)C
Tpsa:
49.41
Logp:
1.8657
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: C₆H₂Br₂N₂S
Molecular Weight: 293.97
Synonyms: None
SMILES: BrC1=C2C(C=CS2)=NC(Br)=N1
Tpsa: 25.78
Logp: 3.2163
H Acceptors: 3
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:
C₆H₂Br₂N₂S
Molecular Weight:
293.97
Synonyms:
None
SMILES:
BrC1=C2C(C=CS2)=NC(Br)=N1
Tpsa:
25.78
Logp:
3.2163
H Acceptors:
3
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: C₆H₄BrN₃S
Molecular Weight: 230.09
Synonyms: None
SMILES: NC1=NC(Br)=C2C(C=CS2)=N1
Tpsa: 51.8
Logp: 2.036
H Acceptors: 4
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:
C₆H₄BrN₃S
Molecular Weight:
230.09
Synonyms:
None
SMILES:
NC1=NC(Br)=C2C(C=CS2)=N1
Tpsa:
51.8
Logp:
2.036
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
0