CS-1085430
(S)-2-Amino-4-ethynyl-4-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile
Manufacturer: ChemScene
CAS Number: 2940865-77-8
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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
C₁₂H₁₂N₂S
Molecular Weight
216.30
Synonyms
None
SMILES
C(#C)[C@@]1(C)C2=C(SC(N)=C2C#N)CCC1
Tpsa
49.81
Logp
2.42918
H Acceptors
3
H Donors
1
Rotatable Bonds
0
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: C₁₂H₁₂N₂S
Molecular Weight: 216.30
Synonyms: None
SMILES: C(#C)[C@@]1(C)C2=C(SC(N)=C2C#N)CCC1
Tpsa: 49.81
Logp: 2.42918
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₂N₂S
Molecular Weight:
216.30
Synonyms:
None
SMILES:
C(#C)[C@@]1(C)C2=C(SC(N)=C2C#N)CCC1
Tpsa:
49.81
Logp:
2.42918
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₂₂N₂O₄
Molecular Weight: 270.32
Synonyms: None
SMILES: C(O)(=O)[C@@]12[C@@](CN(C(OC(C)(C)C)=O)C1)(CCN2C)[H]
Tpsa: 70.08
Logp: 1.0122
H Acceptors: 4
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:
C₁₃H₂₂N₂O₄
Molecular Weight:
270.32
Synonyms:
None
SMILES:
C(O)(=O)[C@@]12[C@@](CN(C(OC(C)(C)C)=O)C1)(CCN2C)[H]
Tpsa:
70.08
Logp:
1.0122
H Acceptors:
4
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: C₉H₁₀BrFN₂O
Molecular Weight: 261.09
Synonyms: None
SMILES: C([C@H](C(N)=O)N)C1=C(F)C=C(Br)C=C1
Tpsa: 69.11
Logp: 0.9433
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:
C₉H₁₀BrFN₂O
Molecular Weight:
261.09
Synonyms:
None
SMILES:
C([C@H](C(N)=O)N)C1=C(F)C=C(Br)C=C1
Tpsa:
69.11
Logp:
0.9433
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: C₈H₁₁BrFN
Molecular Weight: 220.08
Synonyms: None
SMILES: C(Br)[C@]1(F)C[C@H](C#N)CCC1
Tpsa: 23.79
Logp: 2.80338
H Acceptors: 1
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:
C₈H₁₁BrFN
Molecular Weight:
220.08
Synonyms:
None
SMILES:
C(Br)[C@]1(F)C[C@H](C#N)CCC1
Tpsa:
23.79
Logp:
2.80338
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
1