CS-0540987
4-Hydroxy-4-(nitromethyl)tetrahydro-2H-thiopyran 1,1-dioxide
Manufacturer: ChemScene
CAS Number: 857955-80-7
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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
C₆H₁₁NO₅S
Molecular Weight
209.22
Synonyms
2H-Thiopyran-4-ol, tetrahydro-4-(nitromethyl)-, 1,1-dioxide
SMILES
OC(CC1)(C[N+]([O-])=O)CCS1(=O)=O
Tpsa
97.51
Logp
-0.7972
H Acceptors
5
H Donors
1
Rotatable Bonds
2
Related Products
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: C₆H₁₁NO₅S
Molecular Weight: 209.22
Synonyms: 2H-Thiopyran-4-ol, tetrahydro-4-(nitromethyl)-, 1,1-dioxide
SMILES: OC(CC1)(C[N+]([O-])=O)CCS1(=O)=O
Tpsa: 97.51
Logp: -0.7972
H Acceptors: 5
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:
C₆H₁₁NO₅S
Molecular Weight:
209.22
Synonyms:
2H-Thiopyran-4-ol, tetrahydro-4-(nitromethyl)-, 1,1-dioxide
SMILES:
OC(CC1)(C[N+]([O-])=O)CCS1(=O)=O
Tpsa:
97.51
Logp:
-0.7972
H Acceptors:
5
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: C₁₃H₂₁N₃O₃
Molecular Weight: 267.32
Synonyms: 1-Piperidinecarboxylic acid, 3-(5-methyl-1,3,4-oxadiazol-2-yl)-, 1,1-dimethylethyl ester
SMILES: O=C(N1CC(C2=NN=C(C)O2)CCC1)OC(C)(C)C
Tpsa: 68.46
Logp: 2.49252
H Acceptors: 5
H Donors: 0
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:
C₁₃H₂₁N₃O₃
Molecular Weight:
267.32
Synonyms:
1-Piperidinecarboxylic acid, 3-(5-methyl-1,3,4-oxadiazol-2-yl)-, 1,1-dimethylethyl ester
SMILES:
O=C(N1CC(C2=NN=C(C)O2)CCC1)OC(C)(C)C
Tpsa:
68.46
Logp:
2.49252
H Acceptors:
5
H Donors:
0
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: C₁₁H₁₃NO₃
Molecular Weight: 207.23
Synonyms: 4-[(1R)-1-(Acetylamino)ethyl]benzoic Acid
SMILES: C[C@H](C1=CC=C(C=C1)C(=O)O)NC(=O)C
Tpsa: 66.4
Logp: 1.5819
H Acceptors: 2
H Donors: 2
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:
C₁₁H₁₃NO₃
Molecular Weight:
207.23
Synonyms:
4-[(1R)-1-(Acetylamino)ethyl]benzoic Acid
SMILES:
C[C@H](C1=CC=C(C=C1)C(=O)O)NC(=O)C
Tpsa:
66.4
Logp:
1.5819
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
3
Purity: 95%
MDL No: MFCD19689509
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄H₄N₂O₂S
Molecular Weight: 144.15
Synonyms: None
SMILES: CC1=NSC(=N1)C(=O)O
Tpsa: 63.08
Logp: 0.54472
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 1
Purity:
95%
MDL No:
MFCD19689509
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄H₄N₂O₂S
Molecular Weight:
144.15
Synonyms:
None
SMILES:
CC1=NSC(=N1)C(=O)O
Tpsa:
63.08
Logp:
0.54472
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
1