CS-1029009
4-Thioxo-3,4-dihydropyrrolo[1,2-d][1,2,4]triazin-1(2H)-one
Manufacturer: ChemScene
CAS Number: 179316-94-0
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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
C₆H₅N₃OS
Molecular Weight
167.19
Synonyms
None
SMILES
O=C1NNC(=S)N2C=CC=C12
Tpsa
53.06
Logp
0.68519
H Acceptors
3
H Donors
2
Rotatable Bonds
0
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: C₆H₅N₃OS
Molecular Weight: 167.19
Synonyms: None
SMILES: O=C1NNC(=S)N2C=CC=C12
Tpsa: 53.06
Logp: 0.68519
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 0
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₅N₃OS
Molecular Weight:
167.19
Synonyms:
None
SMILES:
O=C1NNC(=S)N2C=CC=C12
Tpsa:
53.06
Logp:
0.68519
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
0
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₂O₄
Molecular Weight: 208.21
Synonyms: None
SMILES: O=C(O)C(C=1C=CC=C2OCCOC21)C
Tpsa: 55.76
Logp: 1.6459
H Acceptors: 3
H Donors: 1
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:
C₁₁H₁₂O₄
Molecular Weight:
208.21
Synonyms:
None
SMILES:
O=C(O)C(C=1C=CC=C2OCCOC21)C
Tpsa:
55.76
Logp:
1.6459
H Acceptors:
3
H Donors:
1
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: C₈H₇N₃O₂
Molecular Weight: 177.16
Synonyms: None
SMILES: O=C1NC=2N=CC=CC2N=C1OC
Tpsa: 67.87
Logp: 0.3267
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 1
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₇N₃O₂
Molecular Weight:
177.16
Synonyms:
None
SMILES:
O=C1NC=2N=CC=CC2N=C1OC
Tpsa:
67.87
Logp:
0.3267
H Acceptors:
4
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: C₈H₉F₃N₂O₂
Molecular Weight: 222.16
Synonyms: None
SMILES: O=C(O)C(N1N=C(C(=C1)C)C(F)(F)F)C
Tpsa: 55.12
Logp: 1.85592
H Acceptors: 3
H Donors: 1
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:
C₈H₉F₃N₂O₂
Molecular Weight:
222.16
Synonyms:
None
SMILES:
O=C(O)C(N1N=C(C(=C1)C)C(F)(F)F)C
Tpsa:
55.12
Logp:
1.85592
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
2