CS-0694386
Benzo[d]isothiazole-3-carbonitrile
Manufacturer: ChemScene
CAS Number: 16807-20-8
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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
C₈H₄N₂S
Molecular Weight
160.20
Synonyms
None
SMILES
N#CC1=NSC2=C1C=CC=C2
Tpsa
36.68
Logp
2.16798
H Acceptors
3
H Donors
0
Rotatable Bonds
0
Related Products
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-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: C₈H₄N₂S
Molecular Weight: 160.20
Synonyms: None
SMILES: N#CC1=NSC2=C1C=CC=C2
Tpsa: 36.68
Logp: 2.16798
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₄N₂S
Molecular Weight:
160.20
Synonyms:
None
SMILES:
N#CC1=NSC2=C1C=CC=C2
Tpsa:
36.68
Logp:
2.16798
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: Store at room temperature, keep dry and cool
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₁₈ClN₃O₂
Molecular Weight: 307.78
Synonyms: None
SMILES: [H]Cl.O=C(CC1CNCC1)NC2=CC=CC(C3=CN=CO3)=C2
Tpsa: 67.16
Logp: 2.7015
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Store at room temperature, keep dry and cool
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₁₈ClN₃O₂
Molecular Weight:
307.78
Synonyms:
None
SMILES:
[H]Cl.O=C(CC1CNCC1)NC2=CC=CC(C3=CN=CO3)=C2
Tpsa:
67.16
Logp:
2.7015
H Acceptors:
4
H Donors:
2
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: C₇H₁₄ClNO₂
Molecular Weight: 179.64
Synonyms: None
SMILES: C1(C2OCCO2)CNCC1.Cl
Tpsa: 30.49
Logp: 0.3906
H Acceptors: 3
H Donors: 1
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:
C₇H₁₄ClNO₂
Molecular Weight:
179.64
Synonyms:
None
SMILES:
C1(C2OCCO2)CNCC1.Cl
Tpsa:
30.49
Logp:
0.3906
H Acceptors:
3
H Donors:
1
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: C₄₆H₅₃N₆O₇P
Molecular Weight: 832.92
Synonyms: None
SMILES: O=C1N=C(NC(C2=CC=CC=C2)=O)C=CN1[C@H]3CN(C(C4=CC=CC=C4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6)C[C@@H](COP(N(C(C)C)C(C)C)OCCC#N)O3
Tpsa: 140.41
Logp: 7.99688
H Acceptors: 12
H Donors: 1
Rotatable Bonds: 18
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₆H₅₃N₆O₇P
Molecular Weight:
832.92
Synonyms:
None
SMILES:
O=C1N=C(NC(C2=CC=CC=C2)=O)C=CN1[C@H]3CN(C(C4=CC=CC=C4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6)C[C@@H](COP(N(C(C)C)C(C)C)OCCC#N)O3
Tpsa:
140.41
Logp:
7.99688
H Acceptors:
12
H Donors:
1
Rotatable Bonds:
18