CS-0074590
2,5-Dimethyl-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one 1,1-dioxide
Manufacturer: ChemScene
CAS Number: 145603-19-6
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Purity
97%
MDL No
MFCD00208131
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₁H₁₃NO₃S
Molecular Weight
239.29
Synonyms
2,5-dimethyl-1,1-dioxo-2,3-dihydro-1$l^{6},5-benzothiazepin-4-one
SMILES
O=S(C(C=CC=C1)=C1N(C2=O)C)(C(C)C2)=O
Tpsa
54.45
Logp
1.2153
H Acceptors
3
H Donors
0
Rotatable Bonds
0
SAFETY INFORMATION
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Purity: 97%
MDL No: MFCD00208131
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₃NO₃S
Molecular Weight: 239.29
Synonyms: 2,5-dimethyl-1,1-dioxo-2,3-dihydro-1$l^{6},5-benzothiazepin-4-one
SMILES: O=S(C(C=CC=C1)=C1N(C2=O)C)(C(C)C2)=O
Tpsa: 54.45
Logp: 1.2153
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 0
Purity:
97%
MDL No:
MFCD00208131
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₃NO₃S
Molecular Weight:
239.29
Synonyms:
2,5-dimethyl-1,1-dioxo-2,3-dihydro-1$l^{6},5-benzothiazepin-4-one
SMILES:
O=S(C(C=CC=C1)=C1N(C2=O)C)(C(C)C2)=O
Tpsa:
54.45
Logp:
1.2153
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
0
Purity: 97%
MDL No: MFCD16691287
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₃N₃
Molecular Weight: 163.22
Synonyms: None
SMILES: CC1=CC(NC)=NC(C2CC2)=N1
Tpsa: 37.81
Logp: 1.70412
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 2
Purity:
97%
MDL No:
MFCD16691287
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₃N₃
Molecular Weight:
163.22
Synonyms:
None
SMILES:
CC1=CC(NC)=NC(C2CC2)=N1
Tpsa:
37.81
Logp:
1.70412
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
2
Purity: 97%
MDL No: MFCD00082871
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₆ClNO₃
Molecular Weight: 211.60
Synonyms: 6-Chloro-1-methyl-2H-3,1-benzoxazine-2,4(1H)-dione
SMILES: O=C1OC(C2=CC(Cl)=CC=C2N1C)=O
Tpsa: 52.21
Logp: 1.1451
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 0
Purity:
97%
MDL No:
MFCD00082871
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₆ClNO₃
Molecular Weight:
211.60
Synonyms:
6-Chloro-1-methyl-2H-3,1-benzoxazine-2,4(1H)-dione
SMILES:
O=C1OC(C2=CC(Cl)=CC=C2N1C)=O
Tpsa:
52.21
Logp:
1.1451
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
0
Purity: 97%
MDL No: MFCD01846427
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅H₆N₂S
Molecular Weight: 126.18
Synonyms: 4,6-Dihydrothienopyrazole
SMILES: C1(CSC2)=C2NN=C1
Tpsa: 28.68
Logp: 1.1565
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 0
Purity:
97%
MDL No:
MFCD01846427
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅H₆N₂S
Molecular Weight:
126.18
Synonyms:
4,6-Dihydrothienopyrazole
SMILES:
C1(CSC2)=C2NN=C1
Tpsa:
28.68
Logp:
1.1565
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
0