CS-0637348
4-[[(6-Nitro-2-benzothiazolyl)imino]methyl]phenol
Manufacturer: ChemScene
CAS Number: 905440-97-3
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Purity
98%
MDL No
None
Storage
4°C, stored under nitrogen
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₄H₉N₃O₃S
Molecular Weight
299.30
Synonyms
None
SMILES
OC1=CC=C(/C=N/C2=NC3=CC=C([N+]([O-])=O)C=C3S2)C=C1
Tpsa
88.62
Logp
3.6607
H Acceptors
6
H Donors
1
Rotatable Bonds
3
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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: 4°C, stored under nitrogen
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₉N₃O₃S
Molecular Weight: 299.30
Synonyms: None
SMILES: OC1=CC=C(/C=N/C2=NC3=CC=C([N+]([O-])=O)C=C3S2)C=C1
Tpsa: 88.62
Logp: 3.6607
H Acceptors: 6
H Donors: 1
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
4°C, stored under nitrogen
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₉N₃O₃S
Molecular Weight:
299.30
Synonyms:
None
SMILES:
OC1=CC=C(/C=N/C2=NC3=CC=C([N+]([O-])=O)C=C3S2)C=C1
Tpsa:
88.62
Logp:
3.6607
H Acceptors:
6
H Donors:
1
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: C₁₇H₁₇F₃N₄O₆
Molecular Weight: 430.34
Synonyms: None
SMILES: O=C1N(C(CC2)C(NC2=O)=O)C(C3=C1C=CC=C3NCCN)=O.O=C(O)C(F)(F)F
Tpsa: 158.9
Logp: 0.0917
H Acceptors: 7
H Donors: 4
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:
C₁₇H₁₇F₃N₄O₆
Molecular Weight:
430.34
Synonyms:
None
SMILES:
O=C1N(C(CC2)C(NC2=O)=O)C(C3=C1C=CC=C3NCCN)=O.O=C(O)C(F)(F)F
Tpsa:
158.9
Logp:
0.0917
H Acceptors:
7
H Donors:
4
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₁₂N₂O₇
Molecular Weight: 332.26
Synonyms: None
SMILES: O=C(O)COC1=CC2=C(C(N(C(CC3)C(NC3=O)=O)C2=O)=O)C=C1
Tpsa: 130.08
Logp: -0.4488
H Acceptors: 6
H Donors: 2
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₁₂N₂O₇
Molecular Weight:
332.26
Synonyms:
None
SMILES:
O=C(O)COC1=CC2=C(C(N(C(CC3)C(NC3=O)=O)C2=O)=O)C=C1
Tpsa:
130.08
Logp:
-0.4488
H Acceptors:
6
H Donors:
2
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: C₂₃H₃₀N₄O₅S
Molecular Weight: 474.57
Synonyms: None
SMILES: CC(N=CS1)=C1C(C=C2)=CC=C2CNC([C@H]3N(C[C@@H](C3)O)C(CNC(OC(C)(C)C)=O)=O)=O
Tpsa: 120.86
Logp: 2.22122
H Acceptors: 7
H Donors: 3
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:
C₂₃H₃₀N₄O₅S
Molecular Weight:
474.57
Synonyms:
None
SMILES:
CC(N=CS1)=C1C(C=C2)=CC=C2CNC([C@H]3N(C[C@@H](C3)O)C(CNC(OC(C)(C)C)=O)=O)=O
Tpsa:
120.86
Logp:
2.22122
H Acceptors:
7
H Donors:
3
Rotatable Bonds:
6