AB68677
21871-47-6 | 5-Benzylthio-1H-tetrazole
Manufacturer: A2B Chem
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CatalogNumber
AB68677
ChemicalName
5-Benzylthio-1H-tetrazole
CasNumber
21871-47-6
MolecularFormula
C8H8N4S
MolecularWeight
192.2409
MdlNumber
MFCD00068731
Smiles
c1ccc(cc1)CSc1nnn[nH]1
NscNumber
282041
Complexity
149
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.8
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CatalogNumber: AB68677
ChemicalName: 5-Benzylthio-1H-tetrazole
CasNumber: 21871-47-6
MolecularFormula: C8H8N4S
MolecularWeight: 192.2409
MdlNumber: MFCD00068731
Smiles: c1ccc(cc1)CSc1nnn[nH]1
NscNumber: 282041
Complexity: 149
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.8
CatalogNumber:
AB68677
ChemicalName:
5-Benzylthio-1H-tetrazole
CasNumber:
21871-47-6
MolecularFormula:
C8H8N4S
MolecularWeight:
192.2409
MdlNumber:
MFCD00068731
Smiles:
c1ccc(cc1)CSc1nnn[nH]1
NscNumber:
282041
Complexity:
149
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.8
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CasNumber: __
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Smiles: CCN1C(=S)S/C(=c/2s/c(=C/c3ccc4c(c3)[C@H]3CCC[C@H]3N4c3ccc(cc3)C=C(c3ccccc3)c3ccccc3)/c(=O)n2CC(=O)O)/C1=O
NscNumber: __
Complexity: __
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Smiles:
CCN1C(=S)S/C(=c/2s/c(=C/c3ccc4c(c3)[C@H]3CCC[C@H]3N4c3ccc(cc3)C=C(c3ccccc3)c3ccccc3)/c(=O)n2CC(=O)O)/C1=O
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Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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Smiles: O=C(OCc1ccccc1)NCCc1nnn[nH]1
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HydrogenBondDonorCount: __
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Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
O=C(OCc1ccccc1)NCCc1nnn[nH]1
NscNumber:
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Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: O=Cc1ccc(o1)c1ccccc1C(F)(F)F
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=Cc1ccc(o1)c1ccccc1C(F)(F)F
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__