CS-0905949
3-Cyanotetrahydrothiophene-3-carboxylic acid 1,1-dioxide
Manufacturer: ChemScene
CAS Number: 1544913-33-8
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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
C₆H₇NO₄S
Molecular Weight
189.19
Synonyms
None
SMILES
O=C(C(CC1)(C#N)CS1(=O)=O)O
Tpsa
95.23
Logp
-0.60052
H Acceptors
4
H Donors
1
Rotatable Bonds
1
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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: C₆H₇NO₄S
Molecular Weight: 189.19
Synonyms: None
SMILES: O=C(C(CC1)(C#N)CS1(=O)=O)O
Tpsa: 95.23
Logp: -0.60052
H Acceptors: 4
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:
C₆H₇NO₄S
Molecular Weight:
189.19
Synonyms:
None
SMILES:
O=C(C(CC1)(C#N)CS1(=O)=O)O
Tpsa:
95.23
Logp:
-0.60052
H Acceptors:
4
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: C₆H₁₁BrO₃S
Molecular Weight: 243.12
Synonyms: None
SMILES: COC(CC1)(CBr)CS1(=O)=O
Tpsa: 43.37
Logp: 0.585
H Acceptors: 3
H Donors: 0
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:
C₆H₁₁BrO₃S
Molecular Weight:
243.12
Synonyms:
None
SMILES:
COC(CC1)(CBr)CS1(=O)=O
Tpsa:
43.37
Logp:
0.585
H Acceptors:
3
H Donors:
0
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: C₁₁H₁₉NO₆S
Molecular Weight: 293.34
Synonyms: None
SMILES: O=C(O)CC(CC1)(NC(OC(C)(C)C)=O)CS1(=O)=O
Tpsa: 109.77
Logp: 0.5431
H Acceptors: 5
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:
C₁₁H₁₉NO₆S
Molecular Weight:
293.34
Synonyms:
None
SMILES:
O=C(O)CC(CC1)(NC(OC(C)(C)C)=O)CS1(=O)=O
Tpsa:
109.77
Logp:
0.5431
H Acceptors:
5
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: C₇H₁₃F₂NO
Molecular Weight: 165.18
Synonyms: rel-(1R,3R)-3-(Difluoromethoxy)cyclohexanamine
SMILES: N[C@H]1C[C@H](OC(F)F)CCC1
Tpsa: 35.25
Logp: 1.4955
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:
C₇H₁₃F₂NO
Molecular Weight:
165.18
Synonyms:
rel-(1R,3R)-3-(Difluoromethoxy)cyclohexanamine
SMILES:
N[C@H]1C[C@H](OC(F)F)CCC1
Tpsa:
35.25
Logp:
1.4955
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
2