CS-0133929
(2S,3aR,5S,7aR)-7a-Methyl-2-((perfluorophenyl)thio)-5-(prop-1-en-2-yl)hexahydrobenzo[d][1,3,2]oxathiaphosphole 2-sulfide
Manufacturer: ChemScene
CAS Number: 2269472-43-5
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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
C₁₆H₁₆F₅OPS₃
Molecular Weight
446.46
Synonyms
None
SMILES
FC1=C(S[P@@]2(O[C@@]3(C)[C@](C[C@@H](C(C)=C)CC3)([H])S2)=S)C(F)=C(F)C(F)=C1F
Tpsa
9.23
Logp
6.9656
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: C₁₆H₁₆F₅OPS₃
Molecular Weight: 446.46
Synonyms: None
SMILES: FC1=C(S[P@@]2(O[C@@]3(C)[C@](C[C@@H](C(C)=C)CC3)([H])S2)=S)C(F)=C(F)C(F)=C1F
Tpsa: 9.23
Logp: 6.9656
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:
C₁₆H₁₆F₅OPS₃
Molecular Weight:
446.46
Synonyms:
None
SMILES:
FC1=C(S[P@@]2(O[C@@]3(C)[C@](C[C@@H](C(C)=C)CC3)([H])S2)=S)C(F)=C(F)C(F)=C1F
Tpsa:
9.23
Logp:
6.9656
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
3
Purity: 95%
MDL No: MFCD11099878
Storage: Store at room temperature, keep dry and cool
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₁₂ClNO₂
Molecular Weight: 177.63
Synonyms: Methyl exo-3-azabicyclo[3.1.0]hexane-6-carboxylate hydrochloride
SMILES: [H][C@]12CNC[C@]1([C@@H]2C(OC)=O)[H].[H]Cl
Tpsa: 38.33
Logp: 0.0466
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 1
Purity:
95%
MDL No:
MFCD11099878
Storage:
Store at room temperature, keep dry and cool
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₁₂ClNO₂
Molecular Weight:
177.63
Synonyms:
Methyl exo-3-azabicyclo[3.1.0]hexane-6-carboxylate hydrochloride
SMILES:
[H][C@]12CNC[C@]1([C@@H]2C(OC)=O)[H].[H]Cl
Tpsa:
38.33
Logp:
0.0466
H Acceptors:
3
H Donors:
1
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: C₁₂H₂₂O₄
Molecular Weight: 230.30
Synonyms: (R)-(+)-2-Butylbutanedioic acid 4-tert-butyl ester
SMILES: O=C(O)[C@H](CCCC)CC(OC(C)(C)C)=O
Tpsa: 63.6
Logp: 2.6092
H Acceptors: 3
H Donors: 1
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:
C₁₂H₂₂O₄
Molecular Weight:
230.30
Synonyms:
(R)-(+)-2-Butylbutanedioic acid 4-tert-butyl ester
SMILES:
O=C(O)[C@H](CCCC)CC(OC(C)(C)C)=O
Tpsa:
63.6
Logp:
2.6092
H Acceptors:
3
H Donors:
1
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: C₁₆H₁₆F₅OPS₃
Molecular Weight: 446.46
Synonyms: None
SMILES: FC1=C(S[P@]2(O[C@]3(C)[C@@](C[C@H](C(C)=C)CC3)([H])S2)=S)C(F)=C(F)C(F)=C1F
Tpsa: 9.23
Logp: 6.9656
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:
C₁₆H₁₆F₅OPS₃
Molecular Weight:
446.46
Synonyms:
None
SMILES:
FC1=C(S[P@]2(O[C@]3(C)[C@@](C[C@H](C(C)=C)CC3)([H])S2)=S)C(F)=C(F)C(F)=C1F
Tpsa:
9.23
Logp:
6.9656
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
3