CS-0255074
Ethyl 2-amino-3a,4,5,6,7,7a-hexahydrobenzo[b]thiophene-3-carboxylate
Manufacturer: ChemScene
CAS Number: 79750-86-0
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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
C₁₁H₁₇NO₂S
Molecular Weight
227.32
Synonyms
None
SMILES
O=C(C1=C(N)SC2C1CCCC2)OCC
Tpsa
52.32
Logp
2.0254
H Acceptors
4
H Donors
1
Rotatable Bonds
2
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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: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₇NO₂S
Molecular Weight: 227.32
Synonyms: None
SMILES: O=C(C1=C(N)SC2C1CCCC2)OCC
Tpsa: 52.32
Logp: 2.0254
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:
C₁₁H₁₇NO₂S
Molecular Weight:
227.32
Synonyms:
None
SMILES:
O=C(C1=C(N)SC2C1CCCC2)OCC
Tpsa:
52.32
Logp:
2.0254
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: C₁₁H₁₁NO₃S
Molecular Weight: 237.27
Synonyms: Benzo[b]thiophene-3-carboxylic acid, 2-amino-7-hydroxy-, ethyl ester
SMILES: O=C(C1=C(N)SC2=C(O)C=CC=C21)OCC
Tpsa: 72.55
Logp: 2.3658
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:
C₁₁H₁₁NO₃S
Molecular Weight:
237.27
Synonyms:
Benzo[b]thiophene-3-carboxylic acid, 2-amino-7-hydroxy-, ethyl ester
SMILES:
O=C(C1=C(N)SC2=C(O)C=CC=C21)OCC
Tpsa:
72.55
Logp:
2.3658
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: C₂₂H₂₅NO₃
Molecular Weight: 351.44
Synonyms: None
SMILES: CC(C1=CC=C([C@H]2CC[C@@H](CC2)NC(OCC3=CC=CC=C3)=O)C=C1)=O
Tpsa: 55.4
Logp: 4.8418
H Acceptors: 3
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:
C₂₂H₂₅NO₃
Molecular Weight:
351.44
Synonyms:
None
SMILES:
CC(C1=CC=C([C@H]2CC[C@@H](CC2)NC(OCC3=CC=CC=C3)=O)C=C1)=O
Tpsa:
55.4
Logp:
4.8418
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
5
Purity: 95%
MDL No: None
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₄N₂O₃
Molecular Weight: 164.12
Synonyms: 1,2,3-Benzoxadiazole-7-carboxylic acid
SMILES: O=C(C1=C(ON=N2)C2=CC=C1)O
Tpsa: 76.22
Logp: 0.921
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 1
Purity:
95%
MDL No:
None
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₄N₂O₃
Molecular Weight:
164.12
Synonyms:
1,2,3-Benzoxadiazole-7-carboxylic acid
SMILES:
O=C(C1=C(ON=N2)C2=CC=C1)O
Tpsa:
76.22
Logp:
0.921
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
1