CS-0346374
2-((4-Amino-3-cyano-2-oxopent-3-en-1-yl)thio)acetic acid
Manufacturer: ChemScene
CAS Number: 885458-39-9
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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
C₈H₁₀N₂O₃S
Molecular Weight
214.24
Synonyms
None
SMILES
O=C(O)CSCC(C(C#N)=C(N)C)=O
Tpsa
104.18
Logp
0.12958
H Acceptors
5
H Donors
2
Rotatable Bonds
5
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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: C₈H₁₀N₂O₃S
Molecular Weight: 214.24
Synonyms: None
SMILES: O=C(O)CSCC(C(C#N)=C(N)C)=O
Tpsa: 104.18
Logp: 0.12958
H Acceptors: 5
H Donors: 2
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₁₀N₂O₃S
Molecular Weight:
214.24
Synonyms:
None
SMILES:
O=C(O)CSCC(C(C#N)=C(N)C)=O
Tpsa:
104.18
Logp:
0.12958
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
5
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₉N₃O₃S₂
Molecular Weight: 271.32
Synonyms: {[(2-Methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]thio}acetic acid
SMILES: O=C(O)CSCC(N=C1N2N=C(C)S1)=CC2=O
Tpsa: 84.56
Logp: 0.77722
H Acceptors: 7
H Donors: 1
Rotatable Bonds: 4
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₉N₃O₃S₂
Molecular Weight:
271.32
Synonyms:
{[(2-Methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]thio}acetic acid
SMILES:
O=C(O)CSCC(N=C1N2N=C(C)S1)=CC2=O
Tpsa:
84.56
Logp:
0.77722
H Acceptors:
7
H Donors:
1
Rotatable Bonds:
4
Purity: 90%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₂₁NO₆S
Molecular Weight: 307.36
Synonyms: None
SMILES: O=C(O)CSCC(NC(OC(C)(C)C)=O)C(OCC)=O
Tpsa: 101.93
Logp: 1.2606
H Acceptors: 6
H Donors: 2
Rotatable Bonds: 7
Purity:
90%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₂₁NO₆S
Molecular Weight:
307.36
Synonyms:
None
SMILES:
O=C(O)CSCC(NC(OC(C)(C)C)=O)C(OCC)=O
Tpsa:
101.93
Logp:
1.2606
H Acceptors:
6
H Donors:
2
Rotatable Bonds:
7
Purity: 90%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₁NO₅S₂
Molecular Weight: 289.33
Synonyms: 2-Thiophenecarboxylic acid, 3-[[2-[(carboxymethyl)thio]acetyl]amino]-, 2-methyl ester
SMILES: O=C(O)CSCC(NC1=C(C(OC)=O)SC=C1)=O
Tpsa: 92.7
Logp: 1.291
H Acceptors: 6
H Donors: 2
Rotatable Bonds: 6
Purity:
90%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₁NO₅S₂
Molecular Weight:
289.33
Synonyms:
2-Thiophenecarboxylic acid, 3-[[2-[(carboxymethyl)thio]acetyl]amino]-, 2-methyl ester
SMILES:
O=C(O)CSCC(NC1=C(C(OC)=O)SC=C1)=O
Tpsa:
92.7
Logp:
1.291
H Acceptors:
6
H Donors:
2
Rotatable Bonds:
6