XPT

1-[chloro(dipropyl)-lambda~4~-sulfanyl]propane

Created:	2010-11-24
Last modified:	2011-06-04

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1 entries where XPT is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	0
Bond Count	31
Aromatic Bond Count	0

2D diagram of XPT

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Chemical Component Summary
Name	1-[chloro(dipropyl)-lambda~4~-sulfanyl]propane
Systematic Name (OpenEye OEToolkits)	1-[chloro(dipropyl)-$l^{4}-sulfanyl]propane
Formula	C₉ H₂₁ Cl S
Molecular Weight	196.781
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	ClS(CCC)(CCC)CCC
SMILES	CACTVS	3.370	CCC[S](Cl)(CCC)CCC
SMILES	OpenEye OEToolkits	1.7.0	CCCS(CCC)(CCC)Cl
Canonical SMILES	CACTVS	3.370	CCC[S](Cl)(CCC)CCC
Canonical SMILES	OpenEye OEToolkits	1.7.0	CCCS(CCC)(CCC)Cl
InChI	InChI	1.03	InChI=1S/C9H21ClS/c1-4-7-11(10,8-5-2)9-6-3/h4-9H2,1-3H3
InChIKey	InChI	1.03	OKMMYIYQBZXYLN-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	137350172

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