CS-0284657
4-(((4,6-Diaminopyrimidin-2-yl)thio)methyl)benzonitrile
Manufacturer: ChemScene
CAS Number: 333418-39-6
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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
C₁₂H₁₁N₅S
Molecular Weight
257.31
Synonyms
None
SMILES
NC1=NC(SCC2=CC=C(C#N)C=C2)=NC(N)=C1
Tpsa
101.61
Logp
1.80498
H Acceptors
6
H Donors
2
Rotatable Bonds
3
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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: C₁₂H₁₁N₅S
Molecular Weight: 257.31
Synonyms: None
SMILES: NC1=NC(SCC2=CC=C(C#N)C=C2)=NC(N)=C1
Tpsa: 101.61
Logp: 1.80498
H Acceptors: 6
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:
C₁₂H₁₁N₅S
Molecular Weight:
257.31
Synonyms:
None
SMILES:
NC1=NC(SCC2=CC=C(C#N)C=C2)=NC(N)=C1
Tpsa:
101.61
Logp:
1.80498
H Acceptors:
6
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: C₁₂H₁₁Cl₂N₃S
Molecular Weight: 300.21
Synonyms: None
SMILES: NC1=NC(SCC2=CC=C(Cl)C=C2Cl)=NC(C)=C1
Tpsa: 51.8
Logp: 3.96632
H Acceptors: 4
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:
C₁₂H₁₁Cl₂N₃S
Molecular Weight:
300.21
Synonyms:
None
SMILES:
NC1=NC(SCC2=CC=C(Cl)C=C2Cl)=NC(C)=C1
Tpsa:
51.8
Logp:
3.96632
H Acceptors:
4
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: C₁₁H₁₀Cl₂N₄S
Molecular Weight: 301.19
Synonyms: None
SMILES: NC1=NC(SCC2=CC=C(Cl)C=C2Cl)=NC(N)=C1
Tpsa: 77.82
Logp: 3.2401
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:
C₁₁H₁₀Cl₂N₄S
Molecular Weight:
301.19
Synonyms:
None
SMILES:
NC1=NC(SCC2=CC=C(Cl)C=C2Cl)=NC(N)=C1
Tpsa:
77.82
Logp:
3.2401
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: C₁₂H₁₁BrFN₃S
Molecular Weight: 328.20
Synonyms: None
SMILES: NC1=NC(SCC2=CC=C(F)C(Br)=C2)=NC(C)=C1
Tpsa: 51.8
Logp: 3.56112
H Acceptors: 4
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:
C₁₂H₁₁BrFN₃S
Molecular Weight:
328.20
Synonyms:
None
SMILES:
NC1=NC(SCC2=CC=C(F)C(Br)=C2)=NC(C)=C1
Tpsa:
51.8
Logp:
3.56112
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
3