CS-1039092
Methyl 3-(isothiazol-3-yl)propiolate
Manufacturer: ChemScene
CAS Number: 1879705-91-5
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Purity
95%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₇H₅NO₂S
Molecular Weight
167.19
Synonyms
None
SMILES
O=C(C#CC1=NSC=C1)OC
Tpsa
39.19
Logp
0.6676
H Acceptors
4
H Donors
0
Rotatable Bonds
0
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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: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₅NO₂S
Molecular Weight: 167.19
Synonyms: None
SMILES: O=C(C#CC1=NSC=C1)OC
Tpsa: 39.19
Logp: 0.6676
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 0
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₅NO₂S
Molecular Weight:
167.19
Synonyms:
None
SMILES:
O=C(C#CC1=NSC=C1)OC
Tpsa:
39.19
Logp:
0.6676
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
0
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₁N₃O₂
Molecular Weight: 205.21
Synonyms: None
SMILES: O=C(O)C=1N=CN=C(C1)NC(C#C)(C)C
Tpsa: 75.11
Logp: 0.9985
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 3
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₁N₃O₂
Molecular Weight:
205.21
Synonyms:
None
SMILES:
O=C(O)C=1N=CN=C(C1)NC(C#C)(C)C
Tpsa:
75.11
Logp:
0.9985
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
3
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₇BrNaO₄S
Molecular Weight: 302.10
Synonyms: None
SMILES: [Na].O=C(OC)C1=CC(Br)=CC=C1S(=O)O
Tpsa: 63.6
Logp: 1.4355
H Acceptors: 3
H Donors: 1
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:
C₈H₇BrNaO₄S
Molecular Weight:
302.10
Synonyms:
None
SMILES:
[Na].O=C(OC)C1=CC(Br)=CC=C1S(=O)O
Tpsa:
63.6
Logp:
1.4355
H Acceptors:
3
H Donors:
1
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: C₈H₇NNaO₂S₃
Molecular Weight: 268.33
Synonyms: None
SMILES: [Na].O=S(O)C=1SC(=CC1)C=2N=C(SC2)C
Tpsa: 50.19
Logp: 2.37982
H Acceptors: 4
H Donors: 1
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:
C₈H₇NNaO₂S₃
Molecular Weight:
268.33
Synonyms:
None
SMILES:
[Na].O=S(O)C=1SC(=CC1)C=2N=C(SC2)C
Tpsa:
50.19
Logp:
2.37982
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
2