CS-0347966
Ethyl 2-(4-oxo-3,4-dihydro-2h-benzo[e][1,3]thiazin-2-ylidene)acetate
Manufacturer: ChemScene
CAS Number: 342804-00-6
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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
C₁₂H₁₁NO₃S
Molecular Weight
249.29
Synonyms
Acetic acid, 2-(3,4-dihydro-4-oxo-2H-1,3-benzothiazin-2-ylidene)-, ethyl ester
SMILES
O=C(OCC)C=C(N1)SC2=CC=CC=C2C1=O
Tpsa
55.4
Logp
1.9266
H Acceptors
4
H Donors
1
Rotatable Bonds
2
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: C₁₂H₁₁NO₃S
Molecular Weight: 249.29
Synonyms: Acetic acid, 2-(3,4-dihydro-4-oxo-2H-1,3-benzothiazin-2-ylidene)-, ethyl ester
SMILES: O=C(OCC)C=C(N1)SC2=CC=CC=C2C1=O
Tpsa: 55.4
Logp: 1.9266
H Acceptors: 4
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:
C₁₂H₁₁NO₃S
Molecular Weight:
249.29
Synonyms:
Acetic acid, 2-(3,4-dihydro-4-oxo-2H-1,3-benzothiazin-2-ylidene)-, ethyl ester
SMILES:
O=C(OCC)C=C(N1)SC2=CC=CC=C2C1=O
Tpsa:
55.4
Logp:
1.9266
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: C₁₃H₂₀N₂O₄S
Molecular Weight: 300.37
Synonyms: None
SMILES: O=C(OCC)C=C(N1CC(N(CC)CC)=O)SCC1=O
Tpsa: 66.92
Logp: 0.8347
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 6
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₂₀N₂O₄S
Molecular Weight:
300.37
Synonyms:
None
SMILES:
O=C(OCC)C=C(N1CC(N(CC)CC)=O)SCC1=O
Tpsa:
66.92
Logp:
0.8347
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₂BrNO₃S
Molecular Weight: 294.17
Synonyms: Ethyl [3-(2-bromoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate
SMILES: O=C(OCC)C=C(N1CCBr)SCC1=O
Tpsa: 46.61
Logp: 1.3612
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₂BrNO₃S
Molecular Weight:
294.17
Synonyms:
Ethyl [3-(2-bromoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate
SMILES:
O=C(OCC)C=C(N1CCBr)SCC1=O
Tpsa:
46.61
Logp:
1.3612
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C10H15ClN2O3
Molecular Weight: 246.69
Synonyms: Acetic acid, 2-[4-(2-chloroacetyl)-2-piperazinylidene]-, ethyl ester
SMILES: O=C(OCC)C=C1NCCN(C(CCl)=O)C1
Tpsa: 58.64
Logp: 0.104
H Acceptors: 4
H Donors: 1
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:
C10H15ClN2O3
Molecular Weight:
246.69
Synonyms:
Acetic acid, 2-[4-(2-chloroacetyl)-2-piperazinylidene]-, ethyl ester
SMILES:
O=C(OCC)C=C1NCCN(C(CCl)=O)C1
Tpsa:
58.64
Logp:
0.104
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
3