CS-0540907
Tert-butyl 1,2,5-thiadiazepane-5-carboxylate 1,1-dioxide
Manufacturer: ChemScene
CAS Number: 410545-39-0
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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
C₉H₁₈N₂O₄S
Molecular Weight
250.32
Synonyms
1,2,5-Thiadiazepine-5(2H)-carboxylic acid, tetrahydro-, 1,1-dimethylethyl ester, 1,1-dioxide
SMILES
O=C(N(CC1)CCNS1(=O)=O)OC(C)(C)C
Tpsa
75.71
Logp
0.1565
H Acceptors
4
H Donors
1
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: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₈N₂O₄S
Molecular Weight: 250.32
Synonyms: 1,2,5-Thiadiazepine-5(2H)-carboxylic acid, tetrahydro-, 1,1-dimethylethyl ester, 1,1-dioxide
SMILES: O=C(N(CC1)CCNS1(=O)=O)OC(C)(C)C
Tpsa: 75.71
Logp: 0.1565
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₈N₂O₄S
Molecular Weight:
250.32
Synonyms:
1,2,5-Thiadiazepine-5(2H)-carboxylic acid, tetrahydro-, 1,1-dimethylethyl ester, 1,1-dioxide
SMILES:
O=C(N(CC1)CCNS1(=O)=O)OC(C)(C)C
Tpsa:
75.71
Logp:
0.1565
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₉NOS
Molecular Weight: 155.22
Synonyms: 2-Methylsulfinylaniline
SMILES: CS(=O)C1=CC=CC=C1N
Tpsa: 43.09
Logp: 1.0062
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:
C₇H₉NOS
Molecular Weight:
155.22
Synonyms:
2-Methylsulfinylaniline
SMILES:
CS(=O)C1=CC=CC=C1N
Tpsa:
43.09
Logp:
1.0062
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: C₁₀H₁₂N₂O₃
Molecular Weight: 208.21
Synonyms: (R)-N-acetyl-1-(4-nitrophenyl)ethylamine
SMILES: CC(N[C@H](C1=CC=C([N+]([O-])=O)C=C1)C)=O
Tpsa: 72.24
Logp: 1.7919
H Acceptors: 3
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:
C₁₀H₁₂N₂O₃
Molecular Weight:
208.21
Synonyms:
(R)-N-acetyl-1-(4-nitrophenyl)ethylamine
SMILES:
CC(N[C@H](C1=CC=C([N+]([O-])=O)C=C1)C)=O
Tpsa:
72.24
Logp:
1.7919
H Acceptors:
3
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: C₆H₆N₂O₃
Molecular Weight: 154.12
Synonyms: 2-(2'-Oxopyrazin-1'-yl)acetic acid
SMILES: C1=CN(C(=O)C=N1)CC(=O)O
Tpsa: 72.19
Logp: -0.6721
H Acceptors: 4
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:
C₆H₆N₂O₃
Molecular Weight:
154.12
Synonyms:
2-(2'-Oxopyrazin-1'-yl)acetic acid
SMILES:
C1=CN(C(=O)C=N1)CC(=O)O
Tpsa:
72.19
Logp:
-0.6721
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
2