CS-0611590
Methyl 4-oxothiochromane-7-carboxylate
Manufacturer: ChemScene
CAS Number: 361371-71-3
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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
C₁₁H₁₀O₃S
Molecular Weight
222.26
Synonyms
2H-1-Benzothiopyran-7-carboxylic acid, 3,4-dihydro-4-oxo-, methyl ester
SMILES
O=C(C1=CC=C2C(CCSC2=C1)=O)OC
Tpsa
43.37
Logp
2.1517
H Acceptors
4
H Donors
0
Rotatable Bonds
1
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: C₁₁H₁₀O₃S
Molecular Weight: 222.26
Synonyms: 2H-1-Benzothiopyran-7-carboxylic acid, 3,4-dihydro-4-oxo-, methyl ester
SMILES: O=C(C1=CC=C2C(CCSC2=C1)=O)OC
Tpsa: 43.37
Logp: 2.1517
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₀O₃S
Molecular Weight:
222.26
Synonyms:
2H-1-Benzothiopyran-7-carboxylic acid, 3,4-dihydro-4-oxo-, methyl ester
SMILES:
O=C(C1=CC=C2C(CCSC2=C1)=O)OC
Tpsa:
43.37
Logp:
2.1517
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₅FINO₂
Molecular Weight: 281.02
Synonyms: None
SMILES: O=C(O)C1=CC(F)=CC(I)=C1N
Tpsa: 63.32
Logp: 1.7107
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₅FINO₂
Molecular Weight:
281.02
Synonyms:
None
SMILES:
O=C(O)C1=CC(F)=CC(I)=C1N
Tpsa:
63.32
Logp:
1.7107
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₅BrN₄O
Molecular Weight: 253.06
Synonyms: None
SMILES: N#CC1=CN=C2C(OC)=NC(Br)=CN21
Tpsa: 63.21
Logp: 1.37208
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₅BrN₄O
Molecular Weight:
253.06
Synonyms:
None
SMILES:
N#CC1=CN=C2C(OC)=NC(Br)=CN21
Tpsa:
63.21
Logp:
1.37208
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₅BrN₂O₂
Molecular Weight: 217.02
Synonyms: None
SMILES: O=CC1=NC(Br)=C(OC)N=C1
Tpsa: 52.08
Logp: 1.0602
H Acceptors: 4
H Donors: 0
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:
C₆H₅BrN₂O₂
Molecular Weight:
217.02
Synonyms:
None
SMILES:
O=CC1=NC(Br)=C(OC)N=C1
Tpsa:
52.08
Logp:
1.0602
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
2