CS-0072390
2-Methyl-1-benzothiophene-3-carbonitrile
Manufacturer: ChemScene
CAS Number: 39812-03-8
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Purity
97%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₀H₇NS
Molecular Weight
173.23
Synonyms
2-Methylbenzo[b]thiophene-3-carbonitrile
SMILES
N#CC1=C(C)SC2=CC=CC=C12
Tpsa
23.79
Logp
3.0814
H Acceptors
2
H Donors
0
Rotatable Bonds
0
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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: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₇NS
Molecular Weight: 173.23
Synonyms: 2-Methylbenzo[b]thiophene-3-carbonitrile
SMILES: N#CC1=C(C)SC2=CC=CC=C12
Tpsa: 23.79
Logp: 3.0814
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 0
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₇NS
Molecular Weight:
173.23
Synonyms:
2-Methylbenzo[b]thiophene-3-carbonitrile
SMILES:
N#CC1=C(C)SC2=CC=CC=C12
Tpsa:
23.79
Logp:
3.0814
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: 4°C, protect from light, stored under nitrogen
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₁NO₃
Molecular Weight: 205.21
Synonyms: Ethyl 3-Aminocoumarilate
SMILES: NC1=C(C(OCC)=O)OC2=CC=CC=C12
Tpsa: 65.46
Logp: 2.1917
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
4°C, protect from light, stored under nitrogen
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₁NO₃
Molecular Weight:
205.21
Synonyms:
Ethyl 3-Aminocoumarilate
SMILES:
NC1=C(C(OCC)=O)OC2=CC=CC=C12
Tpsa:
65.46
Logp:
2.1917
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
2
Purity: 97%
MDL No: MFCD00220250
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₂O₄
Molecular Weight: 220.22
Synonyms: METHYL 2,4-DIOXO-4-P-TOLYLBUTANOATE
SMILES: O=C(OC)C(CC(C(C=C1)=CC=C1C)=O)=O
Tpsa: 60.44
Logp: 1.30992
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 4
Purity:
97%
MDL No:
MFCD00220250
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₂O₄
Molecular Weight:
220.22
Synonyms:
METHYL 2,4-DIOXO-4-P-TOLYLBUTANOATE
SMILES:
O=C(OC)C(CC(C(C=C1)=CC=C1C)=O)=O
Tpsa:
60.44
Logp:
1.30992
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
4
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₇N₃S₃
Molecular Weight: 253.37
Synonyms: IFLAB-BB F1386-0408
SMILES: NC(S1)=NC2=C1C3=C(C=C2)N=C(SC)S3
Tpsa: 51.8
Logp: 3.2101
H Acceptors: 6
H Donors: 1
Rotatable Bonds: 1
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₇N₃S₃
Molecular Weight:
253.37
Synonyms:
IFLAB-BB F1386-0408
SMILES:
NC(S1)=NC2=C1C3=C(C=C2)N=C(SC)S3
Tpsa:
51.8
Logp:
3.2101
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
1