CS-1139162
2-(4-(Aminomethyl)-2-cyano-5-mercaptophenyl)acetic acid
Manufacturer: ChemScene
CAS Number: 1805502-25-3
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Purity
95%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₀H₁₀N₂O₂S
Molecular Weight
222.26
Synonyms
None
SMILES
N#CC1=CC(=C(S)C=C1CC(=O)O)CN
Tpsa
87.11
Logp
0.93278
H Acceptors
4
H Donors
3
Rotatable Bonds
3
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: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₀N₂O₂S
Molecular Weight: 222.26
Synonyms: None
SMILES: N#CC1=CC(=C(S)C=C1CC(=O)O)CN
Tpsa: 87.11
Logp: 0.93278
H Acceptors: 4
H Donors: 3
Rotatable Bonds: 3
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₀N₂O₂S
Molecular Weight:
222.26
Synonyms:
None
SMILES:
N#CC1=CC(=C(S)C=C1CC(=O)O)CN
Tpsa:
87.11
Logp:
0.93278
H Acceptors:
4
H Donors:
3
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: C₈H₅BrF₅NO
Molecular Weight: 306.03
Synonyms: None
SMILES: FC(F)C1=C(Br)N=C(C=C1OC)C(F)(F)F
Tpsa: N/A
Logp: N/A
H Acceptors: N/A
H Donors: N/A
Rotatable Bonds: N/A
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₅BrF₅NO
Molecular Weight:
306.03
Synonyms:
None
SMILES:
FC(F)C1=C(Br)N=C(C=C1OC)C(F)(F)F
Tpsa:
N/A
Logp:
N/A
H Acceptors:
N/A
H Donors:
N/A
Rotatable Bonds:
N/A
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₇BrF₂N₂O₂S
Molecular Weight: 301.11
Synonyms: None
SMILES: O=S(=O)(N)C1=NC(Br)=C(C(=C1)C(F)F)C
Tpsa: N/A
Logp: N/A
H Acceptors: N/A
H Donors: N/A
Rotatable Bonds: N/A
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₇BrF₂N₂O₂S
Molecular Weight:
301.11
Synonyms:
None
SMILES:
O=S(=O)(N)C1=NC(Br)=C(C(=C1)C(F)F)C
Tpsa:
N/A
Logp:
N/A
H Acceptors:
N/A
H Donors:
N/A
Rotatable Bonds:
N/A
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₆F₂N₄O₂
Molecular Weight: 204.14
Synonyms: None
SMILES: O=N(=O)C=1C(=NC(N)=CC1C(F)F)N
Tpsa: 108.07
Logp: 1.0918
H Acceptors: 5
H Donors: 2
Rotatable Bonds: 2
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₆F₂N₄O₂
Molecular Weight:
204.14
Synonyms:
None
SMILES:
O=N(=O)C=1C(=NC(N)=CC1C(F)F)N
Tpsa:
108.07
Logp:
1.0918
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
2