CS-0544811
4-(1,1-Dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)butanenitrile
Manufacturer: ChemScene
CAS Number: 10313-98-1
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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
C₁₁H₁₀N₂O₃S
Molecular Weight
250.27
Synonyms
4-(1,1-Dioxido-3-oxo-1,2-benzothiazol-2(3h)-yl)butanenitrile
SMILES
C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCCC#N
Tpsa
78.24
Logp
1.13488
H Acceptors
4
H Donors
0
Rotatable Bonds
3
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 10313-98-1 | 1,2-Benzisothiazole-2(3H)-butanenitrile,3-oxo-, 1,1-dioxide | A2B Chem | -- |
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: C₁₁H₁₀N₂O₃S
Molecular Weight: 250.27
Synonyms: 4-(1,1-Dioxido-3-oxo-1,2-benzothiazol-2(3h)-yl)butanenitrile
SMILES: C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCCC#N
Tpsa: 78.24
Logp: 1.13488
H Acceptors: 4
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:
C₁₁H₁₀N₂O₃S
Molecular Weight:
250.27
Synonyms:
4-(1,1-Dioxido-3-oxo-1,2-benzothiazol-2(3h)-yl)butanenitrile
SMILES:
C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCCC#N
Tpsa:
78.24
Logp:
1.13488
H Acceptors:
4
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: C₁₁H₁₃NO₂S
Molecular Weight: 223.29
Synonyms: None
SMILES: O=C(O)CN1C=2C=CC=CC2SC(C)C1
Tpsa: 40.54
Logp: 2.0718
H Acceptors: 3
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:
C₁₁H₁₃NO₂S
Molecular Weight:
223.29
Synonyms:
None
SMILES:
O=C(O)CN1C=2C=CC=CC2SC(C)C1
Tpsa:
40.54
Logp:
2.0718
H Acceptors:
3
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: C₁₇H₁₄N₂O
Molecular Weight: 262.31
Synonyms: 4-(2,3-dihydro-1h-inden-5-yl)-1(2h)-phthalazinone
SMILES: C1CC2=C(C1)C=C(C=C2)C3=NNC(=O)C4=CC=CC=C43
Tpsa: 45.75
Logp: 3.0788
H Acceptors: 2
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:
C₁₇H₁₄N₂O
Molecular Weight:
262.31
Synonyms:
4-(2,3-dihydro-1h-inden-5-yl)-1(2h)-phthalazinone
SMILES:
C1CC2=C(C1)C=C(C=C2)C3=NNC(=O)C4=CC=CC=C43
Tpsa:
45.75
Logp:
3.0788
H Acceptors:
2
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: C₁₇H₁₄O₄
Molecular Weight: 282.29
Synonyms: (4R)-6-Methoxycarbonyl-4-phenyl-3,4-dihydrocoumarin
SMILES: O=C1OC2=C(C=C(C(OC)=O)C=C2)[C@@H](C3=CC=CC=C3)C1
Tpsa: 52.6
Logp: 2.9142
H Acceptors: 4
H Donors: 0
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:
C₁₇H₁₄O₄
Molecular Weight:
282.29
Synonyms:
(4R)-6-Methoxycarbonyl-4-phenyl-3,4-dihydrocoumarin
SMILES:
O=C1OC2=C(C=C(C(OC)=O)C=C2)[C@@H](C3=CC=CC=C3)C1
Tpsa:
52.6
Logp:
2.9142
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
2