CS-0535658
(Z)-3-((1H-purin-6-yl)thio)acrylic acid
Manufacturer: ChemScene
CAS Number: 79318-07-3
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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
C₈H₆N₄O₂S
Molecular Weight
222.22
Synonyms
(Z)-3-(9H-purin-6-ylthio)acrylic acid
SMILES
O=C(O)/C=C\SC1=C2N=CN=C2N=CN1
Tpsa
91.76
Logp
0.9949
H Acceptors
5
H Donors
2
Rotatable Bonds
3
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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: C₈H₆N₄O₂S
Molecular Weight: 222.22
Synonyms: (Z)-3-(9H-purin-6-ylthio)acrylic acid
SMILES: O=C(O)/C=C\SC1=C2N=CN=C2N=CN1
Tpsa: 91.76
Logp: 0.9949
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:
C₈H₆N₄O₂S
Molecular Weight:
222.22
Synonyms:
(Z)-3-(9H-purin-6-ylthio)acrylic acid
SMILES:
O=C(O)/C=C\SC1=C2N=CN=C2N=CN1
Tpsa:
91.76
Logp:
0.9949
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: C₁₂H₁₁NO₅
Molecular Weight: 249.22
Synonyms: Methyl (2S)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-hydroxypropanoate
SMILES: COC(=O)[C@H](CO)N1C(=O)C2=CC=CC=C2C1=O
Tpsa: 83.91
Logp: -0.1835
H Acceptors: 5
H Donors: 1
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:
C₁₂H₁₁NO₅
Molecular Weight:
249.22
Synonyms:
Methyl (2S)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-hydroxypropanoate
SMILES:
COC(=O)[C@H](CO)N1C(=O)C2=CC=CC=C2C1=O
Tpsa:
83.91
Logp:
-0.1835
H Acceptors:
5
H Donors:
1
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: C₁₇H₁₇Cl₂NOS
Molecular Weight: 354.29
Synonyms: Neopentylglykol-monobenzoat
SMILES: O=C(NC1=C(Cl)C=CC(C)=C1Cl)CSC2=CC=C(C)C(C)=C2
Tpsa: 29.1
Logp: 5.64946
H Acceptors: 2
H Donors: 1
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:
C₁₇H₁₇Cl₂NOS
Molecular Weight:
354.29
Synonyms:
Neopentylglykol-monobenzoat
SMILES:
O=C(NC1=C(Cl)C=CC(C)=C1Cl)CSC2=CC=C(C)C(C)=C2
Tpsa:
29.1
Logp:
5.64946
H Acceptors:
2
H Donors:
1
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: C₁₅H₁₈O₄
Molecular Weight: 262.30
Synonyms: 3-(Benzoyloxy)-2,2-dimethylpropyl acrylate
SMILES: CC(C)(COC(C1=CC=CC=C1)=O)COC(C=C)=O
Tpsa: 52.6
Logp: 2.5988
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₁₈O₄
Molecular Weight:
262.30
Synonyms:
3-(Benzoyloxy)-2,2-dimethylpropyl acrylate
SMILES:
CC(C)(COC(C1=CC=CC=C1)=O)COC(C=C)=O
Tpsa:
52.6
Logp:
2.5988
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
6