CS-1024540
Tert-butyl 1-carbamothioyloctahydro-6H-pyrrolo[3,4-b]pyridine-6-carboxylate
Manufacturer: ChemScene
CAS Number: 1696126-84-7
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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
C₁₃H₂₃N₃O₂S
Molecular Weight
285.41
Synonyms
None
SMILES
O=C(OC(C)(C)C)N1CC2N(C(=S)N)CCCC2C1
Tpsa
58.8
Logp
1.5613
H Acceptors
3
H Donors
1
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: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₂₃N₃O₂S
Molecular Weight: 285.41
Synonyms: None
SMILES: O=C(OC(C)(C)C)N1CC2N(C(=S)N)CCCC2C1
Tpsa: 58.8
Logp: 1.5613
H Acceptors: 3
H Donors: 1
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:
C₁₃H₂₃N₃O₂S
Molecular Weight:
285.41
Synonyms:
None
SMILES:
O=C(OC(C)(C)C)N1CC2N(C(=S)N)CCCC2C1
Tpsa:
58.8
Logp:
1.5613
H Acceptors:
3
H Donors:
1
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: C₁₁H₁₇N₃
Molecular Weight: 191.27
Synonyms: None
SMILES: N1=C2NC3=C(N2CC(C)C1)CCCC3
Tpsa: 27.63
Logp: 1.6829
H Acceptors: 3
H Donors: 1
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:
C₁₁H₁₇N₃
Molecular Weight:
191.27
Synonyms:
None
SMILES:
N1=C2NC3=C(N2CC(C)C1)CCCC3
Tpsa:
27.63
Logp:
1.6829
H Acceptors:
3
H Donors:
1
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: C₈H₁₄N₄
Molecular Weight: 166.22
Synonyms: None
SMILES: N1=C2NC(=CN2CCC1CN)C
Tpsa: 53.65
Logp: -0.1601
H Acceptors: 4
H Donors: 2
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:
C₈H₁₄N₄
Molecular Weight:
166.22
Synonyms:
None
SMILES:
N1=C2NC(=CN2CCC1CN)C
Tpsa:
53.65
Logp:
-0.1601
H Acceptors:
4
H Donors:
2
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: C₁₁H₁₇Br
Molecular Weight: 229.16
Synonyms: None
SMILES: BrCC1(CC1)C2CC3CCC2C3
Tpsa: 0
Logp: 3.5977
H Acceptors: 0
H Donors: 0
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:
C₁₁H₁₇Br
Molecular Weight:
229.16
Synonyms:
None
SMILES:
BrCC1(CC1)C2CC3CCC2C3
Tpsa:
0
Logp:
3.5977
H Acceptors:
0
H Donors:
0
Rotatable Bonds:
2