CS-1145828
1-(5-Mercapto-1-methyl-1H-pyrazol-4-yl)ethan-1-one
Manufacturer: ChemScene
CAS Number: 111493-63-1
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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
C₆H₈N₂OS
Molecular Weight
156.20
Synonyms
None
SMILES
O=C(C=1C=NN(C1S)C)C
Tpsa
34.89
Logp
0.9114
H Acceptors
4
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: C₆H₈N₂OS
Molecular Weight: 156.20
Synonyms: None
SMILES: O=C(C=1C=NN(C1S)C)C
Tpsa: 34.89
Logp: 0.9114
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:
C₆H₈N₂OS
Molecular Weight:
156.20
Synonyms:
None
SMILES:
O=C(C=1C=NN(C1S)C)C
Tpsa:
34.89
Logp:
0.9114
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: C₇H₈N₂O₂S
Molecular Weight: 184.21
Synonyms: None
SMILES: O=C1NC=2SCCC2C(=O)N1C
Tpsa: 54.86
Logp: -0.2782
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:
C₇H₈N₂O₂S
Molecular Weight:
184.21
Synonyms:
None
SMILES:
O=C1NC=2SCCC2C(=O)N1C
Tpsa:
54.86
Logp:
-0.2782
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: C₁₇H₂₆O
Molecular Weight: 246.39
Synonyms: None
SMILES: OC1=CC=C(C=C1CCC)C2CCC(C)(C)CC2
Tpsa: 20.23
Logp: 5.0285
H Acceptors: 1
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:
C₁₇H₂₆O
Molecular Weight:
246.39
Synonyms:
None
SMILES:
OC1=CC=C(C=C1CCC)C2CCC(C)(C)CC2
Tpsa:
20.23
Logp:
5.0285
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
3
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₆ClNO₅
Molecular Weight: 231.59
Synonyms: None
SMILES: O=C(O)C(O)C1=CC(=CC=C1Cl)N(=O)=O
Tpsa: 100.67
Logp: 1.3662
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 3
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₆ClNO₅
Molecular Weight:
231.59
Synonyms:
None
SMILES:
O=C(O)C(O)C1=CC(=CC=C1Cl)N(=O)=O
Tpsa:
100.67
Logp:
1.3662
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
3