CS-0117154
Methyl 4-{[(methylamino)carbothioyl]amino}benzoate
Manufacturer: ChemScene
CAS Number: 35006-94-1
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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
C₁₀H₁₂N₂O₂S
Molecular Weight
224.28
Synonyms
Benzoic acid, 4-[[(methylamino)thioxomethyl]amino]-, methyl ester
SMILES
O=C(OC)C1=CC=C(NC(NC)=S)C=C1
Tpsa
50.36
Logp
1.3894
H Acceptors
3
H Donors
2
Rotatable Bonds
2
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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
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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: C₁₀H₁₂N₂O₂S
Molecular Weight: 224.28
Synonyms: Benzoic acid, 4-[[(methylamino)thioxomethyl]amino]-, methyl ester
SMILES: O=C(OC)C1=CC=C(NC(NC)=S)C=C1
Tpsa: 50.36
Logp: 1.3894
H Acceptors: 3
H Donors: 2
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:
C₁₀H₁₂N₂O₂S
Molecular Weight:
224.28
Synonyms:
Benzoic acid, 4-[[(methylamino)thioxomethyl]amino]-, methyl ester
SMILES:
O=C(OC)C1=CC=C(NC(NC)=S)C=C1
Tpsa:
50.36
Logp:
1.3894
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
2
Purity: 95+%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₇NO₄
Molecular Weight: 251.28
Synonyms: 4-(2-Morpholin-4-yl-ethoxy)-benzoic acid
SMILES: O=C(O)C1=CC=C(OCCN2CCOCC2)C=C1
Tpsa: 59
Logp: 1.0958
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 5
Purity:
95+%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₇NO₄
Molecular Weight:
251.28
Synonyms:
4-(2-Morpholin-4-yl-ethoxy)-benzoic acid
SMILES:
O=C(O)C1=CC=C(OCCN2CCOCC2)C=C1
Tpsa:
59
Logp:
1.0958
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
5
Purity: 97%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₆ClNO
Molecular Weight: 143.57
Synonyms: Ketone, chloromethyl pyrrol-2-yl
SMILES: ClCC(C1=CC=CN1)=O
Tpsa: 32.86
Logp: 1.4362
H Acceptors: 1
H Donors: 1
Rotatable Bonds: 2
Purity:
97%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₆ClNO
Molecular Weight:
143.57
Synonyms:
Ketone, chloromethyl pyrrol-2-yl
SMILES:
ClCC(C1=CC=CN1)=O
Tpsa:
32.86
Logp:
1.4362
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₃NO
Molecular Weight: 199.25
Synonyms: 4-Aminophenyl p-Tolyl Ether
SMILES: NC1=CC=C(OC2=CC=C(C)C=C2)C=C1
Tpsa: 35.25
Logp: 3.36952
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₃NO
Molecular Weight:
199.25
Synonyms:
4-Aminophenyl p-Tolyl Ether
SMILES:
NC1=CC=C(OC2=CC=C(C)C=C2)C=C1
Tpsa:
35.25
Logp:
3.36952
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
2