CS-1013123
3-(Methylsulfonyl)-2,4-diazabicyclo[4.2.0]octa-1,3,5-trien-5-amine
Manufacturer: ChemScene
CAS Number: 1132642-67-1
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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
C₇H₉N₃O₂S
Molecular Weight
199.23
Synonyms
None
SMILES
NC1=C2CCC2=NC(S(=O)(C)=O)=N1
Tpsa
85.94
Logp
-0.4391
H Acceptors
5
H Donors
1
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: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₉N₃O₂S
Molecular Weight: 199.23
Synonyms: None
SMILES: NC1=C2CCC2=NC(S(=O)(C)=O)=N1
Tpsa: 85.94
Logp: -0.4391
H Acceptors: 5
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:
C₇H₉N₃O₂S
Molecular Weight:
199.23
Synonyms:
None
SMILES:
NC1=C2CCC2=NC(S(=O)(C)=O)=N1
Tpsa:
85.94
Logp:
-0.4391
H Acceptors:
5
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: C₇H₅F₃O₂S
Molecular Weight: 210.17
Synonyms: None
SMILES: O=C(C1=CC=C(CC(F)(F)F)S1)O
Tpsa: 37.3
Logp: 2.5511
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₅F₃O₂S
Molecular Weight:
210.17
Synonyms:
None
SMILES:
O=C(C1=CC=C(CC(F)(F)F)S1)O
Tpsa:
37.3
Logp:
2.5511
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₁₁F₂NO
Molecular Weight: 151.15
Synonyms: None
SMILES: NC1(COC(F)F)CCC1
Tpsa: 35.25
Logp: 1.107
H Acceptors: 2
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:
C₆H₁₁F₂NO
Molecular Weight:
151.15
Synonyms:
None
SMILES:
NC1(COC(F)F)CCC1
Tpsa:
35.25
Logp:
1.107
H Acceptors:
2
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: C₇H₇F₃OS
Molecular Weight: 196.19
Synonyms: None
SMILES: O[C@H](C)C1=CC=C(C(F)(F)F)S1
Tpsa: 20.23
Logp: 2.8202
H Acceptors: 2
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:
C₇H₇F₃OS
Molecular Weight:
196.19
Synonyms:
None
SMILES:
O[C@H](C)C1=CC=C(C(F)(F)F)S1
Tpsa:
20.23
Logp:
2.8202
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
1