CS-0614635
PBDB-T-S
Manufacturer: ChemScene
CAS Number: 1879922-15-2
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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
None
Molecular Weight
None
Synonyms
None
SMILES
CC1=CC=C(C(SC(C2=CC=C(C(SC3=C(C4=CC=C(SCC(CCCC)CC)S4)C5=C6SC(C)=C5)=CC3=C6C7=CC=C(SCC(CCCC)CC)S7)S2)=C8C(C9=C(CC(CC)CCCC)SC(CC(CCCC)CC)=C9%10)=O)=C8C%10=O)S1.[n]
Tpsa
69.14
Logp
26.509
H Acceptors
13
H Donors
1
Rotatable Bonds
31
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: None
Molecular Weight: None
Synonyms: None
SMILES: CC1=CC=C(C(SC(C2=CC=C(C(SC3=C(C4=CC=C(SCC(CCCC)CC)S4)C5=C6SC(C)=C5)=CC3=C6C7=CC=C(SCC(CCCC)CC)S7)S2)=C8C(C9=C(CC(CC)CCCC)SC(CC(CCCC)CC)=C9%10)=O)=C8C%10=O)S1.[n]
Tpsa: 69.14
Logp: 26.509
H Acceptors: 13
H Donors: 1
Rotatable Bonds: 31
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
None
Molecular Weight:
None
Synonyms:
None
SMILES:
CC1=CC=C(C(SC(C2=CC=C(C(SC3=C(C4=CC=C(SCC(CCCC)CC)S4)C5=C6SC(C)=C5)=CC3=C6C7=CC=C(SCC(CCCC)CC)S7)S2)=C8C(C9=C(CC(CC)CCCC)SC(CC(CCCC)CC)=C9%10)=O)=C8C%10=O)S1.[n]
Tpsa:
69.14
Logp:
26.509
H Acceptors:
13
H Donors:
1
Rotatable Bonds:
31
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: None
Molecular Weight: None
Synonyms: None
SMILES: CC1=CC=C(C(SC(C2=CC=C(C(SC3=C(C4=CC(F)=C(SCC(CCCC)CC)S4)C5=C6SC(C)=C5)=CC3=C6C7=CC(F)=C(SCC(CCCC)CC)S7)S2)=C8C(C9=C(CC(CC)CCCC)SC(CC(CCCC)CC)=C9%10)=O)=C8C%10=O)S1.[n]
Tpsa: 69.14
Logp: 26.7872
H Acceptors: 13
H Donors: 1
Rotatable Bonds: 31
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
None
Molecular Weight:
None
Synonyms:
None
SMILES:
CC1=CC=C(C(SC(C2=CC=C(C(SC3=C(C4=CC(F)=C(SCC(CCCC)CC)S4)C5=C6SC(C)=C5)=CC3=C6C7=CC(F)=C(SCC(CCCC)CC)S7)S2)=C8C(C9=C(CC(CC)CCCC)SC(CC(CCCC)CC)=C9%10)=O)=C8C%10=O)S1.[n]
Tpsa:
69.14
Logp:
26.7872
H Acceptors:
13
H Donors:
1
Rotatable Bonds:
31
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: None
Molecular Weight: None
Synonyms: None
SMILES: CC1=CC=C(C(SC(C2=CC=C(C(SC3=C(C4=CC(F)=C(CC(CCCC)CC)S4)C5=C6SC(C)=C5)=CC3=C6C7=CC(F)=C(CC(CCCC)CC)S7)S2)=C8C(C9=C(CC(CC)CCCC)SC(CC(CCCC)CC)=C9%10)=O)=C8C%10=O)S1.[n]
Tpsa: 69.14
Logp: 25.688
H Acceptors: 11
H Donors: 1
Rotatable Bonds: 29
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
None
Molecular Weight:
None
Synonyms:
None
SMILES:
CC1=CC=C(C(SC(C2=CC=C(C(SC3=C(C4=CC(F)=C(CC(CCCC)CC)S4)C5=C6SC(C)=C5)=CC3=C6C7=CC(F)=C(CC(CCCC)CC)S7)S2)=C8C(C9=C(CC(CC)CCCC)SC(CC(CCCC)CC)=C9%10)=O)=C8C%10=O)S1.[n]
Tpsa:
69.14
Logp:
25.688
H Acceptors:
11
H Donors:
1
Rotatable Bonds:
29
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: None
Molecular Weight: None
Synonyms: None
SMILES: CC1=CC=C(C(SC(C2=CC=C(C(SC3=C(C4=CC(Cl)=C(CC(CCCC)CC)S4)C5=C6SC(C)=C5)=CC3=C6C7=CC(Cl)=C(CC(CCCC)CC)S7)S2)=C8C(C9=C(CC(CC)CCCC)SC(CC(CCCC)CC)=C9%10)=O)=C8C%10=O)S1.[n]
Tpsa: 69.14
Logp: 26.7166
H Acceptors: 11
H Donors: 1
Rotatable Bonds: 29
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
None
Molecular Weight:
None
Synonyms:
None
SMILES:
CC1=CC=C(C(SC(C2=CC=C(C(SC3=C(C4=CC(Cl)=C(CC(CCCC)CC)S4)C5=C6SC(C)=C5)=CC3=C6C7=CC(Cl)=C(CC(CCCC)CC)S7)S2)=C8C(C9=C(CC(CC)CCCC)SC(CC(CCCC)CC)=C9%10)=O)=C8C%10=O)S1.[n]
Tpsa:
69.14
Logp:
26.7166
H Acceptors:
11
H Donors:
1
Rotatable Bonds:
29