CS-1061840
2-(((4,5-Bis(hydroxymethyl)-1H-1,2,3-triazol-1-yl)methyl)thio)ethyl acetate
Manufacturer: ChemScene
CAS Number: 827603-54-3
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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
C₉H₁₅N₃O₄S
Molecular Weight
261.30
Synonyms
None
SMILES
O=C(OCCSCN1N=NC(=C1CO)CO)C
Tpsa
97.47
Logp
-0.4835
H Acceptors
8
H Donors
2
Rotatable Bonds
7
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: C₉H₁₅N₃O₄S
Molecular Weight: 261.30
Synonyms: None
SMILES: O=C(OCCSCN1N=NC(=C1CO)CO)C
Tpsa: 97.47
Logp: -0.4835
H Acceptors: 8
H Donors: 2
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₅N₃O₄S
Molecular Weight:
261.30
Synonyms:
None
SMILES:
O=C(OCCSCN1N=NC(=C1CO)CO)C
Tpsa:
97.47
Logp:
-0.4835
H Acceptors:
8
H Donors:
2
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₂BrN₃O
Molecular Weight: 318.17
Synonyms: None
SMILES: BrC=1C=NC=2N=CN(C2C1)CC3=CC=C(OC)C=C3
Tpsa: 39.94
Logp: 3.2507
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:
C₁₄H₁₂BrN₃O
Molecular Weight:
318.17
Synonyms:
None
SMILES:
BrC=1C=NC=2N=CN(C2C1)CC3=CC=C(OC)C=C3
Tpsa:
39.94
Logp:
3.2507
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: C₉H₁₄N₂O₃
Molecular Weight: 198.22
Synonyms: None
SMILES: O=C(OCC)CC=1C=NN(C1)CCO
Tpsa: 64.35
Logp: -0.019
H Acceptors: 5
H Donors: 1
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:
C₉H₁₄N₂O₃
Molecular Weight:
198.22
Synonyms:
None
SMILES:
O=C(OCC)CC=1C=NN(C1)CCO
Tpsa:
64.35
Logp:
-0.019
H Acceptors:
5
H Donors:
1
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: C₁₁H₁₀O₃
Molecular Weight: 190.20
Synonyms: None
SMILES: C([C@@H](C)O)(=O)C1=CC=2C(O1)=CC=CC2
Tpsa: 50.44
Logp: 1.9963
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:
C₁₁H₁₀O₃
Molecular Weight:
190.20
Synonyms:
None
SMILES:
C([C@@H](C)O)(=O)C1=CC=2C(O1)=CC=CC2
Tpsa:
50.44
Logp:
1.9963
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
2