CS-0460066
Benzyl tetrahydrothiophene-2-carboxylate 1,1-dioxide
Manufacturer: ChemScene
CAS Number: 327618-07-5
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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
C₁₂H₁₄O₄S
Molecular Weight
254.30
Synonyms
2-Thiophenecarboxylic acid, tetrahydro-, phenylmethyl ester, 1,1-dioxide
SMILES
O=C(C1CCCS1(=O)=O)OCC2=CC=CC=C2
Tpsa
60.44
Logp
1.307
H Acceptors
4
H Donors
0
Rotatable Bonds
3
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: C₁₂H₁₄O₄S
Molecular Weight: 254.30
Synonyms: 2-Thiophenecarboxylic acid, tetrahydro-, phenylmethyl ester, 1,1-dioxide
SMILES: O=C(C1CCCS1(=O)=O)OCC2=CC=CC=C2
Tpsa: 60.44
Logp: 1.307
H Acceptors: 4
H Donors: 0
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:
C₁₂H₁₄O₄S
Molecular Weight:
254.30
Synonyms:
2-Thiophenecarboxylic acid, tetrahydro-, phenylmethyl ester, 1,1-dioxide
SMILES:
O=C(C1CCCS1(=O)=O)OCC2=CC=CC=C2
Tpsa:
60.44
Logp:
1.307
H Acceptors:
4
H Donors:
0
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: C₁₁H₁₃BrFNO₂
Molecular Weight: 290.13
Synonyms: None
SMILES: COC(OC)C/N=C/C1=CC(Br)=CC(F)=C1
Tpsa: 30.82
Logp: 2.626
H Acceptors: 3
H Donors: 0
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:
C₁₁H₁₃BrFNO₂
Molecular Weight:
290.13
Synonyms:
None
SMILES:
COC(OC)C/N=C/C1=CC(Br)=CC(F)=C1
Tpsa:
30.82
Logp:
2.626
H Acceptors:
3
H Donors:
0
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: C₁₁H₁₈O₄
Molecular Weight: 214.26
Synonyms: None
SMILES: O=C(C1(COC)CCC(CC1)=O)OCC
Tpsa: 52.6
Logp: 1.3254
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:
C₁₁H₁₈O₄
Molecular Weight:
214.26
Synonyms:
None
SMILES:
O=C(C1(COC)CCC(CC1)=O)OCC
Tpsa:
52.6
Logp:
1.3254
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: C₂₃H₄₃N₃O₅
Molecular Weight: 441.60
Synonyms: None
SMILES: O=C([C@H]1N(C([C@H](C)N[C@@H](C(OCC)=O)CCC)=O)[C@@]2([H])CCCC[C@@]2([H])C1)O.CC(N)(C)C
Tpsa: 121.96
Logp: 2.6842
H Acceptors: 6
H Donors: 3
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₃H₄₃N₃O₅
Molecular Weight:
441.60
Synonyms:
None
SMILES:
O=C([C@H]1N(C([C@H](C)N[C@@H](C(OCC)=O)CCC)=O)[C@@]2([H])CCCC[C@@]2([H])C1)O.CC(N)(C)C
Tpsa:
121.96
Logp:
2.6842
H Acceptors:
6
H Donors:
3
Rotatable Bonds:
8