CS-0803176
3-(1,1-Dioxothietan-3-yl)-1,2-dihydrobenzotriazole-5-carbonitrile
Manufacturer: ChemScene
CAS Number: 2719350-14-6
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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
C₁₀H₁₀N₄O₂S
Molecular Weight
250.28
Synonyms
None
SMILES
N#CC1C=C2N(NNC2=CC=1)C3CS(=O)(=O)C3
Tpsa
85.23
Logp
0.00678
H Acceptors
6
H Donors
2
Rotatable Bonds
1
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: C₁₀H₁₀N₄O₂S
Molecular Weight: 250.28
Synonyms: None
SMILES: N#CC1C=C2N(NNC2=CC=1)C3CS(=O)(=O)C3
Tpsa: 85.23
Logp: 0.00678
H Acceptors: 6
H Donors: 2
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:
C₁₀H₁₀N₄O₂S
Molecular Weight:
250.28
Synonyms:
None
SMILES:
N#CC1C=C2N(NNC2=CC=1)C3CS(=O)(=O)C3
Tpsa:
85.23
Logp:
0.00678
H Acceptors:
6
H Donors:
2
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: C₁₀H₁₀FN₃O₄S
Molecular Weight: 287.27
Synonyms: None
SMILES: OC(=O)C1=C(F)C=C2N(NNC2=C1)C3CS(=O)(=O)C3
Tpsa: 98.74
Logp: -0.0276
H Acceptors: 6
H Donors: 3
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:
C₁₀H₁₀FN₃O₄S
Molecular Weight:
287.27
Synonyms:
None
SMILES:
OC(=O)C1=C(F)C=C2N(NNC2=C1)C3CS(=O)(=O)C3
Tpsa:
98.74
Logp:
-0.0276
H Acceptors:
6
H Donors:
3
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: C₉H₉ClFN₃O₂S
Molecular Weight: 277.70
Synonyms: None
SMILES: FC1C=C2C(=CC=1Cl)N(NN2)C3CS(=O)(=O)C3
Tpsa: 61.44
Logp: 0.9276
H Acceptors: 5
H Donors: 2
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:
C₉H₉ClFN₃O₂S
Molecular Weight:
277.70
Synonyms:
None
SMILES:
FC1C=C2C(=CC=1Cl)N(NN2)C3CS(=O)(=O)C3
Tpsa:
61.44
Logp:
0.9276
H Acceptors:
5
H Donors:
2
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: C₁₂H₁₆BrN₃O₂S
Molecular Weight: 346.24
Synonyms: None
SMILES: BrC1C=C2N(NNC2=CC=1)CC3CS(=O)(=O)CCC3
Tpsa: 61.44
Logp: 1.9254
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:
C₁₂H₁₆BrN₃O₂S
Molecular Weight:
346.24
Synonyms:
None
SMILES:
BrC1C=C2N(NNC2=CC=1)CC3CS(=O)(=O)CCC3
Tpsa:
61.44
Logp:
1.9254
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
2