CS-1001107
2-[(6-Methoxy-1H-benzimidazol-2-yl)thioxomethyl]-3,5-dimethyl-4(1H)-pyridinone
Manufacturer: ChemScene
CAS Number: 1346649-67-9
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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
C₁₆H₁₅N₃O₂S
Molecular Weight
313.37
Synonyms
None
SMILES
O=C1C(=CNC(C(=S)C2=NC=3C=C(OC)C=CC3N2)=C1C)C
Tpsa
70.77
Logp
2.64294
H Acceptors
4
H Donors
2
Rotatable Bonds
3
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: C₁₆H₁₅N₃O₂S
Molecular Weight: 313.37
Synonyms: None
SMILES: O=C1C(=CNC(C(=S)C2=NC=3C=C(OC)C=CC3N2)=C1C)C
Tpsa: 70.77
Logp: 2.64294
H Acceptors: 4
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:
C₁₆H₁₅N₃O₂S
Molecular Weight:
313.37
Synonyms:
None
SMILES:
O=C1C(=CNC(C(=S)C2=NC=3C=C(OC)C=CC3N2)=C1C)C
Tpsa:
70.77
Logp:
2.64294
H Acceptors:
4
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: C₁₇H₂₃N₉O₂S₅
Molecular Weight: 545.75
Synonyms: None
SMILES: O=S1(=O)N=C(NC(=N1)CCSCC=2N=C(N=C(C)C)SC2)CSCC=3N=C(SC3)NC(=N)N
Tpsa: 170.93
Logp: 3.21897
H Acceptors: 11
H Donors: 4
Rotatable Bonds: 11
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₂₃N₉O₂S₅
Molecular Weight:
545.75
Synonyms:
None
SMILES:
O=S1(=O)N=C(NC(=N1)CCSCC=2N=C(N=C(C)C)SC2)CSCC=3N=C(SC3)NC(=N)N
Tpsa:
170.93
Logp:
3.21897
H Acceptors:
11
H Donors:
4
Rotatable Bonds:
11
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₁₃BrFN₅O
Molecular Weight: 378.20
Synonyms: None
SMILES: [C@@H](OC1=C(N)N=CC(Br)=C1)(C)C2=C(C=CC(F)=C2)N3N=CC=N3
Tpsa: 78.85
Logp: 3.2861
H Acceptors: 6
H Donors: 1
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:
C₁₅H₁₃BrFN₅O
Molecular Weight:
378.20
Synonyms:
None
SMILES:
[C@@H](OC1=C(N)N=CC(Br)=C1)(C)C2=C(C=CC(F)=C2)N3N=CC=N3
Tpsa:
78.85
Logp:
3.2861
H Acceptors:
6
H Donors:
1
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: C₃₂H₃₉NO₃
Molecular Weight: 485.66
Synonyms: None
SMILES: O=C(O)C(C1=CC=C(C=C1)C(O)CCCN2CCC(CC2)C(C=3C=CC=CC3)C=4C=CC=CC4)(C)C
Tpsa: 60.77
Logp: 6.4065
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 10
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₂H₃₉NO₃
Molecular Weight:
485.66
Synonyms:
None
SMILES:
O=C(O)C(C1=CC=C(C=C1)C(O)CCCN2CCC(CC2)C(C=3C=CC=CC3)C=4C=CC=CC4)(C)C
Tpsa:
60.77
Logp:
6.4065
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
10