CS-0094624
5-(Benzylthio)-1-methyl-1H-pyrazole-4-carboxylic acid
Manufacturer: ChemScene
CAS Number: 111493-56-2
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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
C₁₂H₁₂N₂O₂S
Molecular Weight
248.30
Synonyms
None
SMILES
O=C(C1=C(SCC2=CC=CC=C2)N(C)N=C1)O
Tpsa
55.12
Logp
2.4106
H Acceptors
4
H Donors
1
Rotatable Bonds
4
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: C₁₂H₁₂N₂O₂S
Molecular Weight: 248.30
Synonyms: None
SMILES: O=C(C1=C(SCC2=CC=CC=C2)N(C)N=C1)O
Tpsa: 55.12
Logp: 2.4106
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₂N₂O₂S
Molecular Weight:
248.30
Synonyms:
None
SMILES:
O=C(C1=C(SCC2=CC=CC=C2)N(C)N=C1)O
Tpsa:
55.12
Logp:
2.4106
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₆N₂O₂S
Molecular Weight: 276.35
Synonyms: None
SMILES: O=C(C1=C(SCC2=CC=CC=C2)N(C)N=C1)OCC
Tpsa: 44.12
Logp: 2.8891
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₆N₂O₂S
Molecular Weight:
276.35
Synonyms:
None
SMILES:
O=C(C1=C(SCC2=CC=CC=C2)N(C)N=C1)OCC
Tpsa:
44.12
Logp:
2.8891
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
5
Purity: 98%
MDL No: MFCD28007466
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₁₆N₂
Molecular Weight: 128.22
Synonyms: None
SMILES: CCNC[C@@H]1CCNC1
Tpsa: 29.26
Logp: 0.2869
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
MFCD28007466
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₁₆N₂
Molecular Weight:
128.22
Synonyms:
None
SMILES:
CCNC[C@@H]1CCNC1
Tpsa:
29.26
Logp:
0.2869
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: C₅H₁₂N₂O
Molecular Weight: 116.16
Synonyms: None
SMILES: OC[C@@H]1CNC[C@H]1N
Tpsa: 58.28
Logp: -1.4746
H Acceptors: 3
H Donors: 3
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:
C₅H₁₂N₂O
Molecular Weight:
116.16
Synonyms:
None
SMILES:
OC[C@@H]1CNC[C@H]1N
Tpsa:
58.28
Logp:
-1.4746
H Acceptors:
3
H Donors:
3
Rotatable Bonds:
1