6-(Methylthio)-1-hexanamine - CAS 62580-22-7

Catalog:	BB059331
Product Name:	6-(Methylthio)-1-hexanamine
CAS:	62580-22-7
Synonyms:	6-(Methylthio)-hexylamine

Technical Data

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Computed Properties

IUPAC Name:	6-methylsulfanylhexan-1-amine
Description:	6-(Methylthio)-1-hexanamine is used as a reagent in the synthesis of diptocarpamine,a racemic alkaloid. 6-(Methylthio)-1-hexanamine may also have insulin-like activity.
Molecular Weight:	147.28
Molecular Formula:	C7H17NS
Canonical SMILES:	CSCCCCCCN
InChI:	InChI=1S/C7H17NS/c1-9-7-5-3-2-4-6-8/h2-8H2,1H3
InChI Key:	HTQYVNNDNPYFCV-UHFFFAOYSA-N
References:	Tolstikova, O.V., et al. Khimiya Prirodnykh Soedinenii, no vol., 232 (1989); Durette, P.L., et al. J. Med. Chem., 21, 854 (1978).

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	48.2
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	147.10817072
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	147.10817072
Rotatable Bond Count:	6
Topological Polar Surface Area:	51.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4