CS-1162741
5-(((3-Chlorobenzyl)thio)methyl)isoxazol-3(2H)-one
Manufacturer: ChemScene
CAS Number: 89660-75-3
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Purity
97%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₁H₁₀ClNO₂S
Molecular Weight
255.72
Synonyms
None
SMILES
O=C1C=C(ON1)CSCC=2C=CC=C(Cl)C2
Tpsa
46
Logp
3.0547
H Acceptors
3
H Donors
1
Rotatable Bonds
4
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: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₀ClNO₂S
Molecular Weight: 255.72
Synonyms: None
SMILES: O=C1C=C(ON1)CSCC=2C=CC=C(Cl)C2
Tpsa: 46
Logp: 3.0547
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 4
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₀ClNO₂S
Molecular Weight:
255.72
Synonyms:
None
SMILES:
O=C1C=C(ON1)CSCC=2C=CC=C(Cl)C2
Tpsa:
46
Logp:
3.0547
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
4
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₉ClN₆O
Molecular Weight: 216.63
Synonyms: None
SMILES: ClC=1N=C(N=C(N1)NC)ONC(=N)C
Tpsa: 95.81
Logp: 0.44727
H Acceptors: 6
H Donors: 3
Rotatable Bonds: 3
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₉ClN₆O
Molecular Weight:
216.63
Synonyms:
None
SMILES:
ClC=1N=C(N=C(N1)NC)ONC(=N)C
Tpsa:
95.81
Logp:
0.44727
H Acceptors:
6
H Donors:
3
Rotatable Bonds:
3
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄H₉N₃
Molecular Weight: 99.14
Synonyms: None
SMILES: N=C(NN)C1CC1
Tpsa: 61.9
Logp: -0.16303
H Acceptors: 2
H Donors: 3
Rotatable Bonds: 1
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄H₉N₃
Molecular Weight:
99.14
Synonyms:
None
SMILES:
N=C(NN)C1CC1
Tpsa:
61.9
Logp:
-0.16303
H Acceptors:
2
H Donors:
3
Rotatable Bonds:
1
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₁₃NO₃
Molecular Weight: 147.17
Synonyms: None
SMILES: C(O)[C@@H]1O[C@H](CO)CNC1
Tpsa: 61.72
Logp: -1.672
H Acceptors: 4
H Donors: 3
Rotatable Bonds: 2
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₁₃NO₃
Molecular Weight:
147.17
Synonyms:
None
SMILES:
C(O)[C@@H]1O[C@H](CO)CNC1
Tpsa:
61.72
Logp:
-1.672
H Acceptors:
4
H Donors:
3
Rotatable Bonds:
2