CS-1029291
8-Nitro-2H-benzo[b][1,4]oxathiepin-3(4H)-one
Manufacturer: ChemScene
CAS Number: 1799982-19-6
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Purity
95%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₉H₇NO₄S
Molecular Weight
225.22
Synonyms
None
SMILES
O=C1COC2=CC(=CC=C2SC1)N(=O)=O
Tpsa
69.44
Logp
1.6484
H Acceptors
5
H Donors
0
Rotatable Bonds
1
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: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₇NO₄S
Molecular Weight: 225.22
Synonyms: None
SMILES: O=C1COC2=CC(=CC=C2SC1)N(=O)=O
Tpsa: 69.44
Logp: 1.6484
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 1
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₇NO₄S
Molecular Weight:
225.22
Synonyms:
None
SMILES:
O=C1COC2=CC(=CC=C2SC1)N(=O)=O
Tpsa:
69.44
Logp:
1.6484
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
1
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₂₂N₂O₂S
Molecular Weight: 282.40
Synonyms: None
SMILES: O=S(=O)(NC1=CC=CC(=C1)C2CCNCC2)C(C)C
Tpsa: 58.2
Logp: 2.3037
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 4
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₂₂N₂O₂S
Molecular Weight:
282.40
Synonyms:
None
SMILES:
O=S(=O)(NC1=CC=CC(=C1)C2CCNCC2)C(C)C
Tpsa:
58.2
Logp:
2.3037
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
4
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₁₀N₄
Molecular Weight: 138.17
Synonyms: None
SMILES: N1=CN(N=C1N)C2CCC2
Tpsa: 56.73
Logp: 0.5853
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 1
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₁₀N₄
Molecular Weight:
138.17
Synonyms:
None
SMILES:
N1=CN(N=C1N)C2CCC2
Tpsa:
56.73
Logp:
0.5853
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
1
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₁₂F₃NO
Molecular Weight: 183.17
Synonyms: None
SMILES: FC(F)(F)OCC1CNCCC1
Tpsa: 21.26
Logp: 1.5224
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 2
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₁₂F₃NO
Molecular Weight:
183.17
Synonyms:
None
SMILES:
FC(F)(F)OCC1CNCCC1
Tpsa:
21.26
Logp:
1.5224
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
2