AA81351
15884-86-3 | 5-(Methoxymethyl)-1,3,4-thiadiazol-2-amine
Manufacturer: A2B Chem
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CatalogNumber
AA81351
ChemicalName
5-(Methoxymethyl)-1,3,4-thiadiazol-2-amine
CasNumber
15884-86-3
MolecularFormula
C4H7N3OS
MolecularWeight
145.1829
MdlNumber
MFCD01203002
Smiles
COCc1nnc(s1)N
Complexity
91.9
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
-0.3
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CatalogNumber: AA81351
ChemicalName: 5-(Methoxymethyl)-1,3,4-thiadiazol-2-amine
CasNumber: 15884-86-3
MolecularFormula: C4H7N3OS
MolecularWeight: 145.1829
MdlNumber: MFCD01203002
Smiles: COCc1nnc(s1)N
Complexity: 91.9
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: -0.3
CatalogNumber:
AA81351
ChemicalName:
5-(Methoxymethyl)-1,3,4-thiadiazol-2-amine
CasNumber:
15884-86-3
MolecularFormula:
C4H7N3OS
MolecularWeight:
145.1829
MdlNumber:
MFCD01203002
Smiles:
COCc1nnc(s1)N
Complexity:
91.9
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
-0.3
CatalogNumber: AA81352
ChemicalName: 1,3-Benzodioxole-5-carbothioamide
CasNumber: 15884-65-8
MolecularFormula: C8H7NO2S
MolecularWeight: 181.21168
MdlNumber: MFCD02677739
Smiles: NC(=S)c1ccc2c(c1)OCO2
Complexity: 198
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.1
CatalogNumber:
AA81352
ChemicalName:
1,3-Benzodioxole-5-carbothioamide
CasNumber:
15884-65-8
MolecularFormula:
C8H7NO2S
MolecularWeight:
181.21168
MdlNumber:
MFCD02677739
Smiles:
NC(=S)c1ccc2c(c1)OCO2
Complexity:
198
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.1
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Smiles: [O-][N+](=O)c1cc(ccc1NN=C1c2ccccc2-c2c1cccc2)[N+](=O)[O-]
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Smiles:
[O-][N+](=O)c1cc(ccc1NN=C1c2ccccc2-c2c1cccc2)[N+](=O)[O-]
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Smiles: Cc1c[nH]nc1C(C)(C)C
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Smiles:
Cc1c[nH]nc1C(C)(C)C
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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