CS-0655264
(2R,3R)-3-(2,5-Difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl)butanethioamide
Manufacturer: ChemScene
CAS Number: None
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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
C₁₃H₁₄F₂N₄OS
Molecular Weight
312.34
Synonyms
None
SMILES
FC1=CC=C(F)C=C1[C@](CN2N=CN=C2)(O)[C@@H](C)C(N)=S
Tpsa
76.96
Logp
1.3663
H Acceptors
5
H Donors
2
Rotatable Bonds
5
Other Options
...
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SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
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: C₁₃H₁₄F₂N₄OS
Molecular Weight: 312.34
Synonyms: None
SMILES: FC1=CC=C(F)C=C1[C@](CN2N=CN=C2)(O)[C@@H](C)C(N)=S
Tpsa: 76.96
Logp: 1.3663
H Acceptors: 5
H Donors: 2
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:
C₁₃H₁₄F₂N₄OS
Molecular Weight:
312.34
Synonyms:
None
SMILES:
FC1=CC=C(F)C=C1[C@](CN2N=CN=C2)(O)[C@@H](C)C(N)=S
Tpsa:
76.96
Logp:
1.3663
H Acceptors:
5
H Donors:
2
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: C₁₄H₂₆O₂
Molecular Weight: 226.36
Synonyms: None
SMILES: C[C@@]12[C@](CC[C@@H]2[C@@H](CCO)C)([H])[C@@H](O)CCC1
Tpsa: 40.46
Logp: 2.5822
H Acceptors: 2
H Donors: 2
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:
C₁₄H₂₆O₂
Molecular Weight:
226.36
Synonyms:
None
SMILES:
C[C@@]12[C@](CC[C@@H]2[C@@H](CCO)C)([H])[C@@H](O)CCC1
Tpsa:
40.46
Logp:
2.5822
H Acceptors:
2
H Donors:
2
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: C₂₈H₄₆O₂
Molecular Weight: 414.66
Synonyms: None
SMILES: C[C@@]12[C@](CC[C@]2([H])[C@H](C)CC[C@H](C)C(C)C)([H])/C(CCC1)=C/C=C3C([C@H](C[C@@H](C/3)O)O)=C
Tpsa: 40.46
Logp: 6.8358
H Acceptors: 2
H Donors: 2
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:
C₂₈H₄₆O₂
Molecular Weight:
414.66
Synonyms:
None
SMILES:
C[C@@]12[C@](CC[C@]2([H])[C@H](C)CC[C@H](C)C(C)C)([H])/C(CCC1)=C/C=C3C([C@H](C[C@@H](C/3)O)O)=C
Tpsa:
40.46
Logp:
6.8358
H Acceptors:
2
H Donors:
2
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: C₁₃H₁₄F₂N₄O₂
Molecular Weight: 296.27
Synonyms: None
SMILES: NC([C@H](C)[C@@](O)(C1=C(C=CC(F)=C1)F)CN2C=NC=N2)=O
Tpsa: 94.03
Logp: 0.5655
H Acceptors: 5
H Donors: 2
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:
C₁₃H₁₄F₂N₄O₂
Molecular Weight:
296.27
Synonyms:
None
SMILES:
NC([C@H](C)[C@@](O)(C1=C(C=CC(F)=C1)F)CN2C=NC=N2)=O
Tpsa:
94.03
Logp:
0.5655
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
5